On the public citation graph
Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited
0 signed · 870 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/zaac.19100680122openalex-snapshot
Beiträge zur Kenntnis des Ozons. V. Über die Wärmetönung des Ozonzerfalls
inferredcites →https://doi.org/10.1006/jmsp.1993.1276openalex-snapshot
Dissociation Energy of the HD Molecule
inferredcites →https://doi.org/10.1007/3-540-36133-2_3openalex-snapshot
A Grid Service-Based Active Thermochemical Table Framework
inferredcites →https://doi.org/10.1007/978-1-4757-0961-2openalex-snapshot
Molecular Spectra and Molecular Structure
inferredcites →https://doi.org/10.1007/978-94-009-4099-4openalex-snapshot
Thermochemical Data of Organic Compounds
inferredcites →https://doi.org/10.1016/0008-6223(65)90014-xopenalex-snapshot
The heats of combustion of some pyrolytic graphites
inferredcites →https://doi.org/10.1016/0009-2614(70)80230-5openalex-snapshot
The dissociation energy of the hydrogen molecule using long-range forces
inferredcites →https://doi.org/10.1016/0009-2614(74)85411-4openalex-snapshot
Temporary negative ion formation in NO and O2
inferredcites →https://doi.org/10.1016/0009-2614(74)85421-7openalex-snapshot
High Resolution Photoelectron Spectroscopy of Ozone
inferredcites →https://doi.org/10.1016/0009-2614(74)89075-5openalex-snapshot
He (I) and He (II) photoelectron spectra of ozone
inferredcites →https://doi.org/10.1016/0009-2614(81)80343-0openalex-snapshot
Competing pre-dissociations of O+2(B 2∑−g)
inferredcites →https://doi.org/10.1016/0009-2614(89)85005-5openalex-snapshot
Rotationally resolved photoionization of O2+ near threshold
inferredcites →https://doi.org/10.1016/0009-2614(89)85237-6openalex-snapshot
Reinvestigation of the electron affinities of O2 and NO
inferredcites →https://doi.org/10.1016/0009-2614(91)85076-9openalex-snapshot
Improved potential energy curves and dissociation energies for HF, DF and TF
inferredcites →https://doi.org/10.1016/0009-2614(94)00567-2openalex-snapshot
ZEKE-PEPICO investigations of dissociation energies in ionic reactions
inferredcites →https://doi.org/10.1016/0021-9614(69)90064-0openalex-snapshot
Analysis by computer of thermochemical data on boron compounds
inferredcites →https://doi.org/10.1016/0022-2852(61)90111-4openalex-snapshot
The dissociation energies of the H2, HD, and D2 molecules
inferredcites →https://doi.org/10.1016/0022-2852(70)90060-3openalex-snapshot
The dissociation energy of the hydrogen molecule
inferredcites →https://doi.org/10.1016/0022-2852(71)90046-4openalex-snapshot
Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings: The halogens
inferredcites →https://doi.org/10.1016/0022-2852(72)90064-1openalex-snapshot
Rydberg series and ionization potential of the H2 molecule
inferredcites →https://doi.org/10.1016/0022-2852(75)90168-xopenalex-snapshot
The absorption spectrum of D2 in the vacuum-uv region, Rydberg bands, npσ1Σ+ ← X1Σ+ and npπ1Π ← X1Σ+ with n = 4–6, and the lonization energy
inferredcites →https://doi.org/10.1016/0022-2852(77)90037-6openalex-snapshot
An analysis of the O2+b-a First Negative band system
inferredcites →https://doi.org/10.1016/0022-2852(78)90169-8openalex-snapshot
The dissociation energy of O(X)
inferredcites →https://doi.org/10.1016/0022-2852(80)90303-3openalex-snapshot
High-resolution photofragment spectroscopy of the O2+ b4Σ− (v′ = 3, 4, 5) ← a4Π (v′ = 3, 4, 5) First Negative system using coaxial dye-laser and velocity-tuned ion beams
inferredcites →https://doi.org/10.1016/0022-2852(92)90253-kopenalex-snapshot
The dissociation energy of deuterium
inferredcites →https://doi.org/10.1016/0022-2852(92)90452-topenalex-snapshot
The ionization potential of D2
inferredcites →https://doi.org/10.1016/0022-4073(85)90031-7openalex-snapshot
Decomposition of the photoabsorption continuum underlying the Schumann-Runge bands of —I. Role of the state: A new dissociation limit
inferredcites →https://doi.org/10.1016/0029-554x(70)90679-8openalex-snapshot
Evaluation of relativistic and radiative corrections to the energy of two-electron atomic states
inferredcites →https://doi.org/10.1016/0368-2048(82)80009-1openalex-snapshot
Ionisation energy values for the vibronic transitions from HCl X1 Σ+ (v″ = 0) to HCl+ ionic states X2 Π (v′ = 0
inferredcites →https://doi.org/10.1016/s0016-0032(36)90214-4openalex-snapshot
The thermochemistry of the chemical substances
inferredcites →https://doi.org/10.1016/s0022-328x(00)92784-0openalex-snapshot
Thermochemistry of organic and organometallic compounds
inferredcites →https://doi.org/10.1016/s0040-6031(01)00735-3openalex-snapshot
High precision calorimetry to determine the enthalpy of combustion of methane
inferredcites →https://doi.org/10.1016/s0040-6031(01)00736-5openalex-snapshot
Estimation of the uncertainty for an isothermal precision gas calorimeters
inferredcites →https://doi.org/10.1016/s0168-1176(96)04439-4openalex-snapshot
PFI-ZEKE spectroscopy using coherent vacuum UV: O2+ (a 4IIu) ← O2 (X3Σg−)
inferredcites →https://doi.org/10.1016/s0301-0104(97)00342-xopenalex-snapshot
High-resolution photoelectron spectroscopy using multibunch synchrotron radiation:
inferredcites →https://doi.org/10.1021/cr60086a001openalex-snapshot
Symposium on Fundamental Chemical Thermodynamics of Hydrocarbons and their Derivatives: Heat of Formation of Gaseous Hydrocarbons.
inferredcites →https://doi.org/10.1021/ja01211a010openalex-snapshot
Equilibrium of Iron-Carbon Alloys with Mixtures of CO-CO 2 and CH 4 -H 2
inferredcites →https://doi.org/10.1021/jp960976ropenalex-snapshot
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
inferredcites →https://doi.org/10.1021/jp983237eopenalex-snapshot
Simultaneous Adjustment of Experimentally Based Enthalpies of Formation of CF 3 X, X = nil, H, Cl, Br, I, CF 3 , CN, and a Probe of G3 Theory
inferredcites →https://doi.org/10.1021/jp992403vopenalex-snapshot
Ionization Energy of Methylene Revisited: Improved Values for the Enthalpy of Formation of CH 2 and the Bond Dissociation Energy of CH 3 via Simultaneous Solution of the Local Thermochemical Network
inferredcites →https://doi.org/10.1023/a:1015981904187openalex-snapshot
New Generalization of Data on the Heat of Combustion of High-Purity Methane
inferredcites →https://doi.org/10.1039/a909277copenalex-snapshot
Ion-pair formation observed in a pulsed-field ionization photoelectron spectroscopic study of HF
inferredcites →https://doi.org/10.1039/a909428hopenalex-snapshot
Threshold ion-pair production spectroscopy (TIPPS) of H2 and D2
inferredcites →https://doi.org/10.1039/b009790jopenalex-snapshot
Unimolecular and bimolecular reactions of state selected HCl+ ions formed via the R(1) pump line of the f 3Δ2←1Σ+ REMPI spectrum
inferredcites →https://doi.org/10.1039/b206863jopenalex-snapshot
A new route to the dissociation energy of ionic and neutral HCl via lineshape analysis of single rotational transitions
inferredcites →https://doi.org/10.1039/f19726802224openalex-snapshot
Measurements of heats of combustion by flame calorimetry. Part 8.—Methane, ethane, propane, n-butane and 2-methylpropane
inferredcites →https://doi.org/10.1039/f29747001828openalex-snapshot
Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 4.—Difluoromethylene and ozone
inferredcites →https://doi.org/10.1039/j19660000085openalex-snapshot
Molecular photoelectron spectroscopy. Part V. Ozone
inferredcites →https://doi.org/10.1039/tf9565201500openalex-snapshot
Reaction calorimetry. The hydrogenation of organic fluorides and chlorides
inferredcites →https://doi.org/10.1039/tf9625802348openalex-snapshot
Reaction heats of organic compounds. Part 2.—Heat of addition of hydrogen chloride to acetylene
inferredcites →https://doi.org/10.1039/tf9656102701openalex-snapshot
Rate of combination of oxygen atoms with oxygen molecules
inferredcites →https://doi.org/10.1063/1.1668094openalex-snapshot
Rydberg Absorption Series and Ionization Energies of the Oxygen Molecule. I
inferredcites →https://doi.org/10.1063/1.1674811openalex-snapshot
Photoionization Mass Spectrometric Study of F2, HF, and DF
inferredcites →https://doi.org/10.1063/1.1677164openalex-snapshot
Absorption Spectrum of HD in the Vacuum-uv Region. Rydberg States and Ionization Energy
inferredcites →https://doi.org/10.1063/1.1679942openalex-snapshot
Photoionization of atomic oxygen from 920 to 650 Å
inferredcites →https://doi.org/10.1063/1.1776916openalex-snapshot
Absorption Spectrum of Gaseous F- and Electron Affinities of the Halogen Atoms
inferredcites →https://doi.org/10.1063/1.430359openalex-snapshot
High resolution study of photoionization processes in O2
inferredcites →https://doi.org/10.1063/1.434164openalex-snapshot
Photoionization of ozone: Formation of O4+ and O5+
inferredcites →https://doi.org/10.1063/1.436638openalex-snapshot
Predissociation photofragment spectroscopy of O+2 quartet states
inferredcites →https://doi.org/10.1063/1.437842openalex-snapshot
Laser photoelectron, photodetachment, and photodestruction spectra of O−3
inferredcites →https://doi.org/10.1063/1.438644openalex-snapshot
Angular distributions and separation energies of predissociation photofragments of O2+ (b 4Σg−, v′=4, N′, F′)
inferredcites →https://doi.org/10.1063/1.451379openalex-snapshot
Molecular beam photoelectron spectroscopy and femtosecond intramolecular dynamics of H2O+ and D2O+
inferredcites →https://doi.org/10.1063/1.454058openalex-snapshot
High-resolution photoionization spectrum of water molecules in a supersonic beam
inferredcites →https://doi.org/10.1063/1.459008openalex-snapshot
High orbital angular momentum states in H2 and D2. III. Singlet–triplet splittings, energy levels, and ionization potentials
inferredcites →https://doi.org/10.1063/1.459355openalex-snapshot
Quantum defect theory for asymmetric tops: Application to the Rydberg spectrum of H2O
inferredcites →https://doi.org/10.1063/1.460062openalex-snapshot
Rotational features in the fluorescence excitation spectrum of O(1D2) from vacuum ultraviolet laser photodissociation of O2
inferredcites →https://doi.org/10.1063/1.461313openalex-snapshot
Radiative transition probalities for all vibrational levels in the X 1Σ+ state of HF
inferredcites →https://doi.org/10.1063/1.461431openalex-snapshot
Rotationally resolved photoionization of H2O
inferredcites →https://doi.org/10.1063/1.461923openalex-snapshot
Anomalous branch intensities in the threshold photoionization of HCl
inferredcites →https://doi.org/10.1063/1.463720openalex-snapshot
On the dissociation energy of O2 and the energy of the O2+ b 4Σg− state
inferredcites →https://doi.org/10.1063/1.465245openalex-snapshot
Rotationally resolved single-photon ionization of HCl and DCl
inferredcites →https://doi.org/10.1063/1.467745openalex-snapshot
Study of low-lying electronic states of ozone by anion photoelectron spectroscopy of O−3
inferredcites →https://doi.org/10.1063/1.473629openalex-snapshot
Photofragment excitation spectrum for O(1D) from the photodissociation of jet-cooled ozone in the wavelength range 305–329 nm
inferredcites →https://doi.org/10.1063/1.477476openalex-snapshot
Determination of bond dissociation energies by threshold ion-pair production spectroscopy: An improved D(HCl)
inferredcites →https://doi.org/10.1063/1.479459openalex-snapshot
Rotationally resolved pulsed field ionization photoelectron bands of O2+(X 2Π1/2,3/2g, v+=0–38) in the energy range of 12.05–18.15 eV
inferredcites →https://doi.org/10.1063/1.479939openalex-snapshot
Determination of the heat of formation of O3 using vacuum ultraviolet laser-induced fluorescence spectroscopy and two-dimensional product imaging techniques
inferredcites →https://doi.org/10.1063/1.555524openalex-snapshot
Binding energies in atomic negative ions
inferredcites →https://doi.org/10.1063/1.555735openalex-snapshot
Binding Energies in Atomic Negative Ions: II
inferredcites →https://doi.org/10.1063/1.555747openalex-snapshot
Thermodynamic Properties of Key Organic Oxygen Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases
inferredcites →https://doi.org/10.1063/1.556017openalex-snapshot
Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement A
inferredcites →https://doi.org/10.1086/144910openalex-snapshot
Fine Structure of the Infrared Atmospheric Oxygen Bands.
inferredcites →https://doi.org/10.1088/0022-3700/20/23/002openalex-snapshot
One- and two-photon detachment of the negative chlorine ion
inferredcites →https://doi.org/10.1088/0031-8949/1/1/004openalex-snapshot
On the Photoelectron Spectrum of O2
inferredcites →https://doi.org/10.1088/0031-8949/1995/t58/004openalex-snapshot
Recent experimental achievements with negative ions
inferredcites →https://doi.org/10.1098/rspa.1959.0123openalex-snapshot
The ultra-violet spectra of HF and DF
inferredcites →https://doi.org/10.1098/rsta.1966.0058openalex-snapshot
The heats of combustion of graphite, diamond and some non-graphitic carbons
inferredcites →https://doi.org/10.1103/physrev.112.1649openalex-snapshot
Ground State of Two-Electron Atoms
inferredcites →https://doi.org/10.1103/physrev.126.1470openalex-snapshot
1S1 , 2S1 , and 2S3 States of H− and of He
inferredcites →https://doi.org/10.1103/physrev.51.342openalex-snapshot
Fine Structure in the Σ3 Ground State of the Oxygen Molecule, and the Rotational Intensity Distribution in the Atmospheric Oxygen Band
inferredcites →https://doi.org/10.1103/physreva.32.1890openalex-snapshot
Laser photodetachment measurement of the electron affinity of atomic oxygen
inferredcites →https://doi.org/10.1103/physreva.35.759openalex-snapshot
Laser photodetachment of O3 −
inferredcites →https://doi.org/10.1103/physreva.39.2260openalex-snapshot
Measurement of high Rydberg states and the ionization potential of H2
inferredcites →https://doi.org/10.1103/physreva.40.3698openalex-snapshot
High-resolution determination of the electron affinity of fluorine and bromine using crossed ion and laser beams
inferredcites →https://doi.org/10.1103/physreva.43.6104openalex-snapshot
Threshold photodetachment of H−
inferredcites →https://doi.org/10.1103/physreva.46.3676openalex-snapshot
Precise determinations of ionization potentials andEF-state energy levels of H2 , HD, and D2
inferredcites →https://doi.org/10.1103/physreva.47.4042openalex-snapshot
H2 , D2 , and HD ionization potentials by accurate calibration of several iodine lines
inferredcites →https://doi.org/10.1103/physreva.48.r18openalex-snapshot
Near-threshold continuum structure and the dissociation energies of H2 , HD, and D2
inferredcites →https://doi.org/10.1103/physreva.49.2460openalex-snapshot
Dissociation energies of the hydrogen and deuterium molecules
inferredcites →https://doi.org/10.1103/physreva.51.231openalex-snapshot
Isotope shift in the electron affinity of chlorine
inferredcites →https://doi.org/10.1103/physreva.59.3809openalex-snapshot
Measuring electron affinities with the photodetachment microscope
inferredcites →https://doi.org/10.1103/physreva.6.631openalex-snapshot
Molecular Photodetachment Spectrometry. II. The Electron Affinity of O2 and the Structure of O2−
inferredcites →https://doi.org/10.1103/physrevlett.23.1081openalex-snapshot
Dissociation Energy and Ionization Potential of Molecular Hydrogen
inferredcites →https://doi.org/10.1103/physrevlett.66.1042openalex-snapshot
Perturbed structure of molecular hydrogen near the second dissociation limit
inferredcites →https://doi.org/10.1103/physrevlett.68.584openalex-snapshot
Field-induced ion-pair formation in molecular hydrogen
inferredcites →https://doi.org/10.1103/physrevlett.79.3154openalex-snapshot
Electric Field Induced Dissociation of Molecules in Rydberg-like Highly Vibrationally Excited Ion-Pair States
inferredcites →https://doi.org/10.1139/cjp-79-2-3-165openalex-snapshot
On the dissociation energy of molecular hydrogen
inferredcites →https://doi.org/10.1139/p54-013openalex-snapshot
FINE STRUCTURE OF THE SCHUMANN-RUNGE BANDS NEAR THE CONVERGENCE LIMIT AND THE DISSOCIATION ENERGY OF THE OXYGEN MOLECULE
inferredcites →https://doi.org/10.1139/p73-057openalex-snapshot
The Electronic Spectrum of HF. I. The B1Σ+–X1Σ+ Band System
inferredcites →https://doi.org/10.1139/p75-244openalex-snapshot
On the Ionization Potential of Molecular Oxygen
inferredcites →https://doi.org/10.1139/p75-248openalex-snapshot
Ground State D2 Dissociation Energy from the Near-dissociation Behavior of Rotational Level Spacings
inferredcites →https://doi.org/10.1139/p94-164openalex-snapshot
Rotationally resolved threshold photoelectron spectroscopy of O2 using coherent XUV: formation of vibrationally excited ions in the Franck–Condon gap
inferredcites →https://doi.org/10.1177/10943420030174007openalex-snapshot
A Framework for Building Scientific Knowledge Grids Applied to Thermochemical Tables
inferredcites →https://doi.org/10.1364/josa.55.000654openalex-snapshot
Energy Level and Line Tables for One-Electron Atomic Spectra*
inferredcites →https://doi.org/10.1364/josa.59.000424openalex-snapshot
Wavelengths, Energy Levels, and Analysis of Neutral Atomic Chlorine (Cl i)
inferredcites →https://doi.org/10.1515/zpch-1935-2932openalex-snapshot
Die Dissoziationswärme des Wasserstoffmoleküls H2, aus der Rotationsstruktur an der langwelligen Grenze des Absorptionskontinuums bei 850 Å bestimmt
inferredcites →https://doi.org/10.1615/0-8493-9926-2.0openalex-snapshot
Thermodynamic Properties of Individual Substances
inferredcites →https://doi.org/10.6028/jres.006.002openalex-snapshot
The heats of combustion methane and carbon monoxide
inferredcites →https://doi.org/10.6028/jres.007.017openalex-snapshot
The heat of formation of water and the heats of combustion of methane and carbon monoxide. A correction
inferredcites →https://doi.org/10.6028/jres.009.049openalex-snapshot
The heat of formation of hydrogen chloride and some related thermodynamic data
inferredcites →https://doi.org/10.6028/jres.021.026openalex-snapshot
Heats of combustion of anthracite cokes and of artificial and natural graphites
inferredcites →https://doi.org/10.6028/jres.021.027openalex-snapshot
Heats of combustion of diamond and of graphite
inferredcites →https://doi.org/10.6028/jres.021.028openalex-snapshot
Heat and free energy of formation of carbon dioxide, and of the transition between graphite and diamond
inferredcites →https://doi.org/10.6028/jres.022.029openalex-snapshot
Heat and free energy of formation of water and of carbon monoxide
inferredcites →https://doi.org/10.6028/jres.033.023openalex-snapshot
Some experimental data on the heats of combustion of benzoic acid and carbon (graphite)
inferredcites →https://doi.org/10.6028/jres.033.024openalex-snapshot
Heat of formation of carbon dioxide and of the transition of graphite into diamond
inferredcites →https://doi.org/10.6028/jres.034.013openalex-snapshot
Heats of combustion and formation of the paraffin hydrocarbons at 25 degrees C
inferredcites →https://doi.org/10.6028/jres.072a.012openalex-snapshot
Constant pressure flame calorimetry with fluorine. II. The heat of formation of oxygen difluoride
inferredcites →https://doi.org/10.6028/jres.072a.027openalex-snapshot
Mass spectrometric study of photoionization. X. Hydrogen chloride and methyl halides
inferredcites →https://doi.org/10.6028/nbs.tn.270-8openalex-snapshot
Selected values of chemical thermodynamic properties :
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4865723openalex-extracted
The Origin and Control of Interstitial Impurities in Refractory Complex Concentrated Alloys
inferred← citeshttps://doi.org/10.1002/14356007.a17_293.pub2openalex-snapshot
Nitric Acid, 1. Production
inferred← citeshttps://doi.org/10.1002/9780470682531.pat0930openalex-snapshot
Introduction to the Energetics and Thermochemical Aspects of Polynitrogen Species
inferred← citeshttps://doi.org/10.1002/9780470682531.pat0934openalex-snapshot
Some Thermochemical Aspects of Acyclic Polynitrogen Species
inferred← citeshttps://doi.org/10.1002/9780470682531.pat0999openalex-snapshot
The Energetics of Organofluorine Compounds: Aliphatic Fluorocarbons and Hydrofluorocarbons
inferred← citeshttps://doi.org/10.1002/9780470682531.pat1033openalex-snapshot
Physical Properties of Fluorinated Compounds
inferred← citeshttps://doi.org/10.1002/9781118166123.ch1openalex-snapshot
Overview of Thermochemistry and its Application to Reaction Kinetics
inferred← citeshttps://doi.org/10.1002/adma.73111openalex-snapshot
Water Dissociation Boosted‐H 2 O 2 Photoproduction via Molecular and Surface Engineering of Conjugated Porous Polymers
inferred← citeshttps://doi.org/10.1002/adts.202400319openalex-snapshot
Efficient Reaction‐Based Approaches for Gas‐Phase Enthalpy of Formation Prediction and their Application to Large (C32) Polycyclic Aromatic Hydrocarbons
inferred← citeshttps://doi.org/10.1002/aic.17059openalex-snapshot
Moving from postdictive to predictive kinetics in reaction engineering
inferred← citeshttps://doi.org/10.1002/ange.200700219openalex-snapshot
Superoxide Does React with Peroxides: Direct Observation of the Haber–Weiss Reaction in the Gas Phase
inferred← citeshttps://doi.org/10.1002/ange.202404927openalex-snapshot
On Tautomerism and Amphoterism: An In‐Depth Structural and Physicochemical Characterization of Ammeline and Some of Its Salts
inferred← citeshttps://doi.org/10.1002/ange.8986387openalex-snapshot
Circumstellar Origin of Chrysene (C 18 H 12 ) via Self‐Recombination of Resonantly‐Stabilized 1‐Indenyl Radicals and Implications to the Aromaticity of the Carbonaceous Asteroid Ryugu
inferred← citeshttps://doi.org/10.1002/anie.200700219openalex-snapshot
Superoxide Does React with Peroxides: Direct Observation of the Haber–Weiss Reaction in the Gas Phase
inferred← citeshttps://doi.org/10.1002/anie.202404927openalex-snapshot
On Tautomerism and Amphoterism: An In‐Depth Structural and Physicochemical Characterization of Ammeline and Some of Its Salts
inferred← citeshttps://doi.org/10.1002/chem.200903252openalex-snapshot
From a Network of Computed Reaction Enthalpies to Atom‐Based Thermochemistry (NEAT)
inferred← citeshttps://doi.org/10.1002/chem.202002638openalex-snapshot
Gas‐Phase Transformation of Fluorinated Benzoporphyrins to Porphyrin‐Embedded Conical Nanocarbons
inferred← citeshttps://doi.org/10.1002/chem.202104493openalex-snapshot
Sulfonyl Nitrene and Amidyl Radical: Structure and Reactivity
inferred← citeshttps://doi.org/10.1002/cpe.1201openalex-snapshot
Portal‐based Knowledge Environment for Collaborative Science
inferred← citeshttps://doi.org/10.1002/cphc.200600224openalex-snapshot
The Origin of Systematic Error in the Standard Enthalpies of Formation of Hydrocarbons Computed via Atomization Schemes
inferred← citeshttps://doi.org/10.1002/cphc.202200061openalex-snapshot
Uncertainty Quantification of Reactivity Scales**
inferred← citeshttps://doi.org/10.1002/cphc.202400750openalex-snapshot
Post‐CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio Methods
inferred← citeshttps://doi.org/10.1002/cphc.202500203openalex-snapshot
A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 Calculations
inferred← citeshttps://doi.org/10.1002/cphc.202500211openalex-snapshot
Threshold Photoelectron Spectroscopy of Monosulfur Monofluoride
inferred← citeshttps://doi.org/10.1002/ijch.202100111openalex-snapshot
Electron Correlation: Nature's Weird and Wonderful Chemical Glue
inferred← citeshttps://doi.org/10.1002/jcc.23963openalex-snapshot
Heats of formation of platonic hydrocarbon cages by means of high‐level thermochemical procedures
inferred← citeshttps://doi.org/10.1002/jcc.24854openalex-snapshot
W4‐17: A diverse and high‐confidence dataset of atomization energies for benchmarking high‐level electronic structure methods
inferred← citeshttps://doi.org/10.1002/jcc.25790openalex-snapshot
mHDFS‐HoF: A generalized multilevel homodesmotic fragment‐separation reaction based program for heat‐of‐formation calculation for acyclic hydrocarbons
inferred← citeshttps://doi.org/10.1002/jcc.26129openalex-snapshot
Domain‐based local pair natural orbital methods within the correlation consistent composite approach
inferred← citeshttps://doi.org/10.1002/jcc.27023openalex-snapshot
Thermochemistry of per‐ and polyfluoroalkyl substances
inferred← citeshttps://doi.org/10.1002/jcc.27033openalex-snapshot
Influence of the complete basis set approximation, tight weighted‐core, and diffuse functions on the DLPNO‐CCSD ( T1 ) atomization energies of neutral H,C,O‐compounds
inferred← citeshttps://doi.org/10.1002/jcc.27542openalex-snapshot
Theoretical Study of the Subsequent Decomposition Mechanisms of 1,1‐Diamino‐2,2‐dinitroethene ( FOX ‐7)
inferred← citeshttps://doi.org/10.1002/jcc.70286openalex-snapshot
Towards Multireference Equivalents of the HEAT Thermochemical Protocol
inferred← citeshttps://doi.org/10.1002/jcc.70296openalex-snapshot
Benchmarking Isomerization Energies for C5$$ {\mathrm{C}}_5 $$–C7$$ {\mathrm{C}}_7 $$ Hydrocarbons: The ISOC7 Database
inferred← citeshttps://doi.org/10.1002/kin.20326openalex-snapshot
Thermochemical properties from ab initio calculations: π‐ and σ‐Free radicals of importance in soot formation: •C3H3 (propargyl), •C4H3, •C13H9 (phenalenyl), •C6H5 (phenyl), •C10H7 (naphthyl), •C14H9 (anthryl), •C14H9 (phenanthryl), •C16H9 (pyrenyl), •C12H7 (acenaphthyl), and •C12H9 (biphenylyl)
inferred← citeshttps://doi.org/10.1002/kin.20327openalex-snapshot
Experimental measurements and kinetic modeling of CO/H2/O2/NOx conversion at high pressure
inferred← citeshttps://doi.org/10.1002/kin.20352openalex-snapshot
Experimental measurements and kinetic modeling of CH4/O2 and CH4/C2H6/O2 conversion at high pressure
inferred← citeshttps://doi.org/10.1002/kin.20373openalex-snapshot
Uncertainty analysis of NO production during methane combustion
inferred← citeshttps://doi.org/10.1002/kin.20601openalex-snapshot
High‐temperature dissociation of ethyl radicals and ethyl iodide
inferred← citeshttps://doi.org/10.1002/kin.20607openalex-snapshot
High‐temperature rate constants for H/D + C2H6 and C3H8
inferred← citeshttps://doi.org/10.1002/kin.20717openalex-snapshot
Determination of rate parameters based on both direct and indirect measurements
inferred← citeshttps://doi.org/10.1002/kin.20929openalex-snapshot
Formation of NO from N2/O2 Mixtures in a Flow Reactor: Toward an Accurate Prediction of Thermal NO
inferred← citeshttps://doi.org/10.1002/kin.20984openalex-snapshot
Harnessing the Combined Power of Theoretical and Experimental Data through Multiscale Informatics
inferred← citeshttps://doi.org/10.1002/kin.21316openalex-snapshot
QUANTIS: Data quality assessment tool by clustering analysis
inferred← citeshttps://doi.org/10.1002/kin.21410openalex-snapshot
A group additivity methodology for predicting the thermochemistry of oxygen‐containing organosilanes
inferred← citeshttps://doi.org/10.1002/kin.21447openalex-snapshot
Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species
inferred← citeshttps://doi.org/10.1002/kin.21551openalex-snapshot
Direct H abstraction by molecular oxygen from unsaturated C3–C5 hydrocarbons: A theoretical study
inferred← citeshttps://doi.org/10.1002/kin.21554openalex-snapshot
Theoretical study on the kinetics and thermodynamics of H‐atom abstractions from tetramethylsilane‐related species
inferred← citeshttps://doi.org/10.1002/mas.20276openalex-snapshot
Bond‐dissociation energies of cations—Pushing the limits to quantum state resolution
inferred← citeshttps://doi.org/10.1002/prep.201800202openalex-snapshot
Detonation Velocity Measurement of a Hydrogen Peroxide Solvate of CL‐20
inferred← citeshttps://doi.org/10.1002/prep.202000071openalex-snapshot
Developing a Theoretical Approach for Accurate Determination of the Density and Thermochemical Properties of Energetic Ionic Liquids
inferred← citeshttps://doi.org/10.1002/qua.22009openalex-snapshot
Proton affinity and enthalpy of formation of formaldehyde
inferred← citeshttps://doi.org/10.1002/qua.24605openalex-snapshot
Uncertainty quantification in thermochemistry, benchmarking electronic structure computations, and Active Thermochemical Tables
inferred← citeshttps://doi.org/10.1002/qua.26135openalex-snapshot
Optimal diffuse augmented atomic basis sets for extrapolation of the correlation energy
inferred← citeshttps://doi.org/10.1002/qua.26468openalex-snapshot
Mechanism and kinetics of the reaction CH3 + CH3CHO : Ab initio semiclassical transition state theory study
inferred← citeshttps://doi.org/10.1002/qua.27063openalex-snapshot
Benchmarking quantum chemistry compound methods for the temperature‐dependent thermochemical data of SixHy and SixFy series
inferred← citeshttps://doi.org/10.1002/slct.201802021openalex-snapshot
Enthalpy of Combustion on n ‐Alkanes. Quantum Chemical Calculations up to n ‐C 60 H 122 and Power Law Distributions
inferred← citeshttps://doi.org/10.1002/wcms.1109openalex-snapshot
Determination of enthalpies (‘Heats’) of formation
inferred← citeshttps://doi.org/10.1002/wcms.1249openalex-snapshot
A computational chemist's guide to accurate thermochemistry for organic molecules
inferred← citeshttps://doi.org/10.1002/wcms.1501openalex-snapshot
Applications of isodesmic‐type reactions for computational thermochemistry
inferred← citeshttps://doi.org/10.1007/978-1-4471-5307-8_16openalex-snapshot
Investigation and Improvement of Reaction Mechanisms Using Sensitivity Analysis and Optimization
inferred← citeshttps://doi.org/10.1007/978-1-4471-5307-8_20openalex-snapshot
Calculation of Molecular Thermochemical Data and Their Availability in Databases
inferred← citeshttps://doi.org/10.1007/978-3-319-02976-4_5openalex-snapshot
Photodissociation Dynamics of Four Fluorinated Ethenes: Fast, Slow, Statistical and Non-statistical Reactions
inferred← citeshttps://doi.org/10.1007/978-3-642-31730-9_3openalex-snapshot
Chemical Processes in the Interstellar Medium
inferred← citeshttps://doi.org/10.1007/978-3-662-44562-4_5openalex-snapshot
Sensitivity and Uncertainty Analyses
inferred← citeshttps://doi.org/10.1007/978-94-007-0412-1_16openalex-snapshot
Uncertainty Quantification in Fluid Flow
inferred← citeshttps://doi.org/10.1007/978-981-19-4421-5_8openalex-snapshot
Basis Set Convergence and Extrapolation of Connected Triple Excitation Contributions (T) in Computational Thermochemistry: The W4-17 Benchmark with Up to k Functions
inferred← citeshttps://doi.org/10.1007/978-981-99-2699-2_3openalex-snapshot
Application of Molecular Simulation Methods in Treating Intrinsic Structures of Energetic Materials
inferred← citeshttps://doi.org/10.1007/s00214-010-0733-7openalex-snapshot
Accurate computational thermochemistry from explicitly correlated coupled-cluster theory
inferred← citeshttps://doi.org/10.1007/s00214-013-1407-zopenalex-snapshot
Improved accuracy benchmarks of small molecules using correlation consistent basis sets
inferred← citeshttps://doi.org/10.1007/s00214-013-1415-zopenalex-snapshot
Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values
inferred← citeshttps://doi.org/10.1007/s00214-014-1446-0openalex-snapshot
Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory
inferred← citeshttps://doi.org/10.1007/s00214-014-1483-8openalex-snapshot
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
inferred← citeshttps://doi.org/10.1007/s00214-019-2500-8openalex-snapshot
Enthalpies of formation of the benzyloxyl, benzylperoxyl, hydroxyphenyl radicals and related species on the potential energy surface for the reaction of toluene with the hydroxyl radical
inferred← citeshttps://doi.org/10.1007/s00214-023-03060-2openalex-snapshot
On the decomposition mechanism of propanal: rate constants evaluation and kinetic simulations
inferred← citeshttps://doi.org/10.1007/s00214-024-03154-5openalex-snapshot
Theoretical prediction of the dehydration mechanism of 1, 3-butanediol as a potential biofuel surrogate
inferred← citeshttps://doi.org/10.1007/s00706-007-0798-8openalex-snapshot
Accurate thermochemistry from quantum chemical calculations?
inferred← citeshttps://doi.org/10.1007/s00894-022-05243-3openalex-snapshot
Determination of the standard enthalpy of formation of iodine compounds through the G2 and G3(MP2)//B3-SBK theories
inferred← citeshttps://doi.org/10.1007/s00894-023-05461-3openalex-snapshot
Fragmentation route of doubly ionized benzene, aniline, and nitroanilines monomers using a novel protocol from density functional theory and QTAIM
inferred← citeshttps://doi.org/10.1007/s00894-024-06241-3openalex-snapshot
Elementary reactions for glycine production in hot and dense interstellar media from $$\text {CH}_{3}\text {COOH}$$, HCOOH, and $$\text {NH}_{2}\text {CH}$$
inferred← citeshttps://doi.org/10.1007/s10910-011-9830-7openalex-snapshot
Analytical and numerical computation of error propagation of model parameters
inferred← citeshttps://doi.org/10.1007/s11172-020-2725-7openalex-snapshot
Application of group separation reaction formalism for analysis of non-valence effects of organic compounds: three-carbon rings
inferred← citeshttps://doi.org/10.1007/s11224-015-0577-9openalex-snapshot
A computational investigation of monosubstituted boroxines(RH2B3O3): structure and formation
inferred← citeshttps://doi.org/10.1007/s11224-019-01352-7openalex-snapshot
Thermochemistry of phosphorus sulfide cages: an extreme challenge for high-level ab initio methods
inferred← citeshttps://doi.org/10.1007/s11224-023-02134-yopenalex-snapshot
Paradigms and paradoxes: systematics in the study of the simplest sulfenic acids and sulfoxides, and a comparison between sulfur–oxygen and nitrogen–oxygen bonds
inferred← citeshttps://doi.org/10.1007/s11224-025-02563-xopenalex-snapshot
Paradoxes and paradigms: if polyglycine is the polymer, then what is the monomeric repeating unit?
inferred← citeshttps://doi.org/10.1007/s11224-025-02593-5openalex-snapshot
Dissociation enthalpies of first and second row AO and OAO species: high level quantum chemical calculations
inferred← citeshttps://doi.org/10.1007/s11224-025-02624-1openalex-snapshot
Paradigms and paradoxes: what is the enthalpy of formation of triglycine or should we have asked “What are the enthalpies of formation of the triglycines”?
inferred← citeshttps://doi.org/10.1007/s12210-023-01217-6openalex-snapshot
Crossed molecular beam studies of bimolecular reactions of atomic oxygen with nitrogen-bearing organic molecules (nitriles and N-heterocyclic)
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00129-xopenalex-snapshot
Benchmark Accuracy in Thermochemistry, Kinetics, and Noncovalent Interactions
inferred← citeshttps://doi.org/10.1016/b978-0-12-823955-1.00002-4openalex-snapshot
NOx formation chemical kinetics in IC engines
inferred← citeshttps://doi.org/10.1016/b978-0-444-59440-2.00001-6openalex-snapshot
A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
inferred← citeshttps://doi.org/10.1016/bs.arcc.2021.09.002openalex-snapshot
Ab initio composite methodologies: Their significance for the chemistry community
inferred← citeshttps://doi.org/10.1016/bs.arcc.2022.09.002openalex-snapshot
Thermodynamic properties of high energy amine borane adducts
inferred← citeshttps://doi.org/10.1016/bs.arcc.2022.09.003openalex-snapshot
Quantum mechanical thermochemical predictions 100 years after the Schrödinger equation
inferred← citeshttps://doi.org/10.1016/bs.arcc.2024.10.005openalex-snapshot
Super-ccCA: Robust transition metal thermochemistry
inferred← citeshttps://doi.org/10.1016/j.apsusc.2021.150031openalex-snapshot
Anisotropic growth of Pt on Pd nanocube promotes direct synthesis of hydrogen peroxide
inferred← citeshttps://doi.org/10.1016/j.asr.2023.02.002openalex-snapshot
Mapping the evolution of pure CO2 ices irradiated by ions, UV, and electrons using the upgraded PROCODA code (employing an effective rate constant ordering by thermochemistry data)
inferred← citeshttps://doi.org/10.1016/j.ast.2017.02.025openalex-snapshot
Thermodynamic properties of carbon–phenolic gas mixtures
inferred← citeshttps://doi.org/10.1016/j.carbon.2022.05.035openalex-snapshot
Insights into the thermal stability and conversion of carbon-based materials by using ReaxFF reactive force field: Recent advances and future directions
inferred← citeshttps://doi.org/10.1016/j.cej.2024.156949openalex-snapshot
Reduced-order condensed-phase kinetic models for polyethylene, polypropylene and polystyrene thermochemical recycling
inferred← citeshttps://doi.org/10.1016/j.cej.2024.156955openalex-snapshot
A lumped kinetic model and experimental investigation of poly(ethylene terephthalate) condensed-phase pyrolysis
inferred← citeshttps://doi.org/10.1016/j.cej.2025.159964openalex-snapshot
Reaction behavior of CO2 gas in a new three-phase gas-liquid-liquid stripping process for lithium recovery
inferred← citeshttps://doi.org/10.1016/j.ces.2016.04.058openalex-snapshot
Theoretical investigation on correlation between steric effects and selectivity in gas–solid chlorination of polyvinyl chloride
inferred← citeshttps://doi.org/10.1016/j.chemphys.2008.01.057openalex-snapshot
Accurate ab initio computation of thermochemical data for C3Hx species
inferred← citeshttps://doi.org/10.1016/j.chemphys.2008.11.013openalex-snapshot
Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory
inferred← citeshttps://doi.org/10.1016/j.chemphys.2026.113499openalex-snapshot
Selenenic vs. sulfenic acids: Enthalpies of formation, bond dissociation energies, and thermochemical properties from composite methods
inferred← citeshttps://doi.org/10.1016/j.coche.2019.08.004openalex-snapshot
From database to knowledge graph — using data in chemistry
inferred← citeshttps://doi.org/10.1016/j.combustflame.2011.08.016openalex-snapshot
Inhibition of hydrogen oxidation by HBr and Br2
inferred← citeshttps://doi.org/10.1016/j.combustflame.2015.01.005openalex-snapshot
Uncertainty of the rate parameters of several important elementary reactions of the H2 and syngas combustion systems
inferred← citeshttps://doi.org/10.1016/j.combustflame.2015.04.002openalex-snapshot
High-temperature chemistry of HCl and Cl2
inferred← citeshttps://doi.org/10.1016/j.combustflame.2017.08.013openalex-snapshot
A systematic method to estimate and validate enthalpies of formation using error-cancelling balanced reactions
inferred← citeshttps://doi.org/10.1016/j.combustflame.2018.12.012openalex-snapshot
Cascaded group-additivity ONIOM: A new method to approach CCSD(T)/CBS energies of large aliphatic hydrocarbons
inferred← citeshttps://doi.org/10.1016/j.combustflame.2018.12.034openalex-snapshot
Numerical investigation of strained extinction at engine-relevant pressures: Pressure dependence and sensitivity to chemical and physical parameters for methane-based flames
inferred← citeshttps://doi.org/10.1016/j.combustflame.2019.12.011openalex-snapshot
Investigating the impacts of thermochemical group additivity values on kinetic model predictions through sensitivity and uncertainty analyses
inferred← citeshttps://doi.org/10.1016/j.combustflame.2022.112159openalex-snapshot
Accurate thermochemistry prediction of extensive Polycyclic aromatic hydrocarbons (PAHs) and relevant radicals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2022.112484openalex-snapshot
Computational thermochemistry of oxygenated polycyclic aromatic hydrocarbons and relevant radicals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2022.112492openalex-snapshot
Group additivity values for the heat of formation of C2–C8 alkanes, alkyl hydroperoxides, and their radicals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2023.112706openalex-snapshot
Group additivity values for entropy and heat capacities of C2–C8 alkanes, alkyl hydroperoxides, and their radicals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2023.113178openalex-snapshot
A theoretical kinetic study of 1-butyne, 2-butyne, and 3-methyl-1-butyne combustion
inferred← citeshttps://doi.org/10.1016/j.combustflame.2024.113519openalex-snapshot
A theoretical study on the isomerization and decomposition reaction kinetics of small unsaturated methyl esters: Methyl acrylate, methyl butenoate and methyl crotonate radicals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2024.113682openalex-snapshot
Theoretical kinetics study of key reactions between ammonia and fuel molecules, part II: H-atom abstraction from alcohols and ethers by ṄH2 radicals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2024.113738openalex-snapshot
A theoretical and kinetic study of key reactions between ammonia and fuel molecules, part III: H-atom abstraction from esters by ṄH2 radicals
inferred← citeshttps://doi.org/10.1016/j.combustflame.2025.114033openalex-snapshot
Ab initio kinetics for H-atom abstraction from nitroethane
inferred← citeshttps://doi.org/10.1016/j.combustflame.2025.114501openalex-snapshot
Theoretically Informed Kinetics (ThInK): Establishing a modern C0-C3 mechanism for combustion modeling
inferred← citeshttps://doi.org/10.1016/j.combustflame.2026.115167openalex-snapshot
Optimized rate rules and kinetic models for the oxidation of large normal and iso-alkanes
inferred← citeshttps://doi.org/10.1016/j.combustflame.2026.115364openalex-snapshot
Kinetics and thermodynamics of linear C2-C5 aldehyde radicals: from Ab Initio calculations to combustion modeling
inferred← citeshttps://doi.org/10.1016/j.commatsci.2026.114626openalex-snapshot
Highly accurate Isodesmic-based group contribution compensation methodology for thermodynamics of polycyclic aromatic hydrocarbons
inferred← citeshttps://doi.org/10.1016/j.comptc.2012.02.007openalex-snapshot
Heats of formation for the boronic acids R–B(OH)2 and boroxines R3B3O3 (R=H, Li, HBe, H2B, H3C, H2N, HO, F, and Cl) calculated at the G2, G3, and G4 levels of theory
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.08.024openalex-snapshot
DFT and ab initio composite methods: Investigation of oxygen fluoride species
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113600openalex-snapshot
Theoretical structural and thermochemical characterization of partially fluorinated alcohols
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114880openalex-snapshot
Bimolecular reaction of nitrous oxide (N2O) with hydroperoxy radical (HO 2• ): A computational study
inferred← citeshttps://doi.org/10.1016/j.cplett.2009.04.011openalex-snapshot
Thermal decomposition of pyrazole to vinylcarbene + N2: A first principles/RRKM study
inferred← citeshttps://doi.org/10.1016/j.cplett.2011.05.007openalex-snapshot
W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data
inferred← citeshttps://doi.org/10.1016/j.cplett.2013.08.075openalex-snapshot
Sneaking up on the Criegee intermediate from below: Predicted photoelectron spectrum of the CH2OO− anion and W3-F12 electron affinity of CH2OO
inferred← citeshttps://doi.org/10.1016/j.cplett.2014.01.040openalex-snapshot
The reaction of the benzene cation with acetylenes for the growth of PAHs in the interstellar medium
inferred← citeshttps://doi.org/10.1016/j.cplett.2014.12.037openalex-snapshot
The CH3CHOO ‘Criegee intermediate’ and its anion: Isomers, infrared spectra, and W3-F12 energetics
inferred← citeshttps://doi.org/10.1016/j.cplett.2015.11.009openalex-snapshot
Heat of formation for C60 by means of the G4(MP2) thermochemical protocol through reactions in which C60 is broken down into corannulene and sumanene
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.07.065openalex-snapshot
Thermodynamics limits the reactivity of BrHg radical with volatile organic compounds
inferred← citeshttps://doi.org/10.1016/j.cplett.2018.03.041openalex-snapshot
Accurate prediction of bond dissociation energies of large n-alkanes using ONIOM-CCSD(T)/CBS methods
inferred← citeshttps://doi.org/10.1016/j.cplett.2018.05.062openalex-snapshot
CCSDT(Q)/CBS thermochemistry for the D5h → D10h isomerization in the C10 carbon cluster: Getting the right answer for the right reason
inferred← citeshttps://doi.org/10.1016/j.cplett.2018.07.054openalex-snapshot
Kinetics of the thermal decomposition of CH2F2
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.06.018openalex-snapshot
Decomposition mechanism of the phenylaminyl C6H5N H radical to propargyl and acetylene: A M06-2X, CBS-QB3 and G4 study
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.136810openalex-snapshot
Basis set convergence of high-order coupled cluster methods up to CCSDTQ567 for a highly multireference molecule
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138467openalex-snapshot
Photoionization of methanol: a molecular source for the prebiotic chemistry
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139671openalex-snapshot
Imaging studies of the CH3 fragments formed in the ultraviolet photodissociation of dimethylamine: Role of the parent 3s and 3p Rydberg states
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139714openalex-snapshot
A CGA-ONIOM-DFT framework for accurate and efficient determination of thermodynamics and Kinetics: Case study of cyclopentane reaction with hydroxyl radical
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139879openalex-snapshot
Rate coefficients for the CH(X2Π) + CHX3 (X = Cl and Br) reactions and the propensity of the reactions of CH with halomethanes
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.140121openalex-snapshot
Kinetics of the R + O2 → R–HO + OH reactions of substituted methyl radicals: Effects of Cl, F, and CF3 substitution and notes on the RO + O producing channel
inferred← citeshttps://doi.org/10.1016/j.cplett.2023.140371openalex-snapshot
Thermochemical and kinetics investigation of the CH2CN + CN system leading to NCCH2CN
inferred← citeshttps://doi.org/10.1016/j.cplett.2023.140932openalex-snapshot
Kinetic study of the vibrational relaxation of CH3Zn by collisions with He
inferred← citeshttps://doi.org/10.1016/j.cplett.2024.141841openalex-snapshot
Active Thermochemical Tables: Should the enthalpy of formation of gas phase boron atom be revised?
inferred← citeshttps://doi.org/10.1016/j.cplett.2025.142087openalex-snapshot
Thermochemical and kinetics investigation of elementary reactions to produce acetonitrile (CH3CN) in Titan’s atmosphere
inferred← citeshttps://doi.org/10.1016/j.ctta.2023.100121openalex-snapshot
Enthalpy of Formation of Carbocycles: A Precise Theoretical Determination of Experimentally Imprecise Measurements.
inferred← citeshttps://doi.org/10.1016/j.energy.2024.130378openalex-snapshot
A novel method for predicting the thermal stabilization temperature of organic Rankine cycle system working fluids based on transition state theory
inferred← citeshttps://doi.org/10.1016/j.enmf.2021.10.004openalex-snapshot
A review of quantum chemical methods for treating energetic molecules
inferred← citeshttps://doi.org/10.1016/j.fuel.2019.05.152openalex-snapshot
Skeletal mechanisms for prediction of NO x emission in solid fuel combustion
inferred← citeshttps://doi.org/10.1016/j.fuel.2020.117012openalex-snapshot
Experimental error assessment of laminar flame speed measurements for digital chemical kinetics databases
inferred← citeshttps://doi.org/10.1016/j.fuel.2020.120076openalex-snapshot
Exploring reactions of amines-model compounds with NH2: In relevance to nitrogen conversion chemistry in biomass
inferred← citeshttps://doi.org/10.1016/j.fuel.2022.125203openalex-snapshot
Calculation of Gas-phase Standard Formation Enthalpy via Ring-Preserved Connectivity-Based Hierarchy and Automatic Bond Separation Reaction Platform
inferred← citeshttps://doi.org/10.1016/j.fuel.2025.136712openalex-snapshot
Unraveling the thermal decomposition kinetics of triethyl phosphite
inferred← citeshttps://doi.org/10.1016/j.fuel.2025.137886openalex-snapshot
An experimental, theoretical and kinetic modeling study of ammonia borane combustion
inferred← citeshttps://doi.org/10.1016/j.fuel.2026.140444openalex-snapshot
Microkinetic investigation of methane activation by vapor-phase metals
inferred← citeshttps://doi.org/10.1016/j.fuel.2026.140820openalex-snapshot
Benchmark calculations on the thermochemistry for C/H/N/O energetic molecules from quantum chemistry methods
inferred← citeshttps://doi.org/10.1016/j.gca.2016.09.028openalex-snapshot
Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2020.06.083openalex-snapshot
Probing hydrogen–nitrogen chemistry: A theoretical study of important reactions in NxHy, HCN and HNCO oxidation
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2025.05.334openalex-snapshot
Laser-based speciation of acetone oxidation behind reflected shock waves and chemical kinetic modeling
inferred← citeshttps://doi.org/10.1016/j.ijms.2010.05.021openalex-snapshot
Dissociation dynamics of energy-selected acetic acid ions: The gas phase heat of formation of the acetyl ion
inferred← citeshttps://doi.org/10.1016/j.ijms.2014.04.006openalex-snapshot
The F−+ CH3I → FCH3+ I− entrance channel potential energy surface
inferred← citeshttps://doi.org/10.1016/j.ijms.2020.116515openalex-snapshot
A chemical dynamics study of the HCl + HCl+ reaction
inferred← citeshttps://doi.org/10.1016/j.ijms.2024.117366openalex-snapshot
Can OPAH ions be a source of CO and HCO in the interstellar medium? Lessons learned from the unimolecular dissociation of dibenzofuran and dibenz[b,f]oxepin radical cations
inferred← citeshttps://doi.org/10.1016/j.jallcom.2024.177520openalex-snapshot
The origin and control of interstitial impurities in refractory complex concentrated alloys
inferred← citeshttps://doi.org/10.1016/j.jct.2018.06.016openalex-snapshot
Self-consistent enthalpies of formation of adamantanes by isodesmic reaction network
inferred← citeshttps://doi.org/10.1016/j.jct.2023.107197openalex-snapshot
Accuracy of enthalpies of formation of hydrocarbons using the SVECV-f12 protocol and comparison to other composite methods
inferred← citeshttps://doi.org/10.1016/j.jct.2024.107310openalex-snapshot
Theoretical study of the thermochemistry of Formation, acidity and basicity of 2- and 8-Hydroxy azaazulene and their mercapto analogues
inferred← citeshttps://doi.org/10.1016/j.jece.2025.115640openalex-snapshot
Predicting the thermal decomposition behaviour of perfluorooctane sulfonamidoacetic acid (FOSAA): An emerging heteroatomic PFAS
inferred← citeshttps://doi.org/10.1016/j.jfluchem.2021.109885openalex-snapshot
Investigation of γ-irradiated polyvinylidene fluoride and its acute toxicity
inferred← citeshttps://doi.org/10.1016/j.jmgm.2025.108959openalex-snapshot
O-H/N-H bond dissociation energies in 1,4-hydroquinone, 4-hydroxydiphenylamine, N,N′-diphenyl-1,4-phenylenediamine, and their phenoxyl and aminyl radicals
inferred← citeshttps://doi.org/10.1016/j.jmgm.2025.109106openalex-snapshot
The simpler the better? Enthalpies of formation and entropies of short-chain chlorinated paraffins by ab initio, DFT, group additivity and semiempirical approximations
inferred← citeshttps://doi.org/10.1016/j.jmgm.2026.109478openalex-snapshot
Complete set of isodesmic reactions for the accurate thermochemistry of three- and four-atom CNO-compounds
inferred← citeshttps://doi.org/10.1016/j.jms.2007.07.005openalex-snapshot
MARVEL: measured active rotational–vibrational energy levels
inferred← citeshttps://doi.org/10.1016/j.jms.2023.111847openalex-snapshot
The C2H4O isomers in the oxidation of ethylene
inferred← citeshttps://doi.org/10.1016/j.jms.2023.111848openalex-snapshot
The database of spectroscopic constants of diatomic molecules (DSCDM): A dynamic and user-friendly interface for molecular physics and spectroscopy
inferred← citeshttps://doi.org/10.1016/j.jqsrt.2007.10.003openalex-snapshot
On employing , , , and lines as frequency standards in the 15–170cm−1 window
inferred← citeshttps://doi.org/10.1016/j.jqsrt.2009.02.014openalex-snapshot
IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part I—Energy levels and transition wavenumbers for H217O and H218O
inferred← citeshttps://doi.org/10.1016/j.jqsrt.2010.06.012openalex-snapshot
IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part II
inferred← citeshttps://doi.org/10.1016/j.jqsrt.2012.01.005openalex-snapshot
MARVEL: Measured active rotational–vibrational energy levels. II. Algorithmic improvements
inferred← citeshttps://doi.org/10.1016/j.jqsrt.2012.10.002openalex-snapshot
IUPAC critical evaluation of the rotational–vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O
inferred← citeshttps://doi.org/10.1016/j.jqsrt.2014.04.024openalex-snapshot
S&MPO – An information system for ozone spectroscopy on the WEB
inferred← citeshttps://doi.org/10.1016/j.jqsrt.2021.107834openalex-snapshot
Franck-Condon factors and vibronic patterns of singlet-triplet transitions of 16O3 molecule falling near the dissociation threshold and above
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.113137openalex-snapshot
Exploring enthalpies of formation of imidazolium-, pyridinium-, and pyrrolidinium-based ionic liquids with dicyanamide anion using quantum chemical methods
inferred← citeshttps://doi.org/10.1016/j.pecs.2018.01.002openalex-snapshot
Modeling nitrogen chemistry in combustion
inferred← citeshttps://doi.org/10.1016/j.pecs.2020.100844openalex-snapshot
Reaction mechanisms and chemical kinetics of mercury transformation during coal combustion
inferred← citeshttps://doi.org/10.1016/j.pecs.2020.100886openalex-snapshot
Combustion chemistry in the twenty-first century: Developing theory-informed chemical kinetics models
inferred← citeshttps://doi.org/10.1016/j.pecs.2022.101010openalex-snapshot
Combustion machine learning: Principles, progress and prospects
showing the first 200 of 734 · page through all 734
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.