On the public citation graph

Computational Spectroscopy of Large Systems in Solution: The DFTB/PCM and TD-DFTB/PCM Approach

0 signed · 135 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.
Claim with ORCID
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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9781118008720openalex-snapshot
Computational Strategies for Spectroscopy
inferredcites →https://doi.org/10.1002/cphc.200900976openalex-snapshot
Environmental Effects in Computational Spectroscopy: Accuracy and Interpretation
inferredcites →https://doi.org/10.1002/jcc.10164openalex-snapshot
The treatment of solvation by a generalized Born model and a self‐consistent charge‐density functional theory‐based tight‐binding method
inferredcites →https://doi.org/10.1002/jcc.10189openalex-snapshot
Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model
inferredcites →https://doi.org/10.1002/jcc.20112openalex-snapshot
Systematic study of vibrational frequencies calculated with the self‐consistent charge density functional tight‐binding method
inferredcites →https://doi.org/10.1002/jrs.2909openalex-snapshot
Raman spectroscopy of acetic acid monomer and dimers isolated in solid argon
inferredcites →https://doi.org/10.1002/pssb.201100615openalex-snapshot
Extensions of DFTB to investigate molecular complexes and clusters
inferredcites →https://doi.org/10.1002/qua.22002openalex-snapshot
Implementation and benchmark tests of the DFTB method and its application in the ONIOM method
inferredcites →https://doi.org/10.1002/qua.22027openalex-snapshot
Comparison of geometric, electronic, and vibrational properties for all pentagon/hexagon‐bearing isomers of fullerenes C38, C40, and C42
inferredcites →https://doi.org/10.1002/qua.23178openalex-snapshot
Delocalization errors in a hubbard‐like model: Consequences for density‐functional tight‐binding calculations of molecular systems
inferredcites →https://doi.org/10.1002/qua.23224openalex-snapshot
Toward anharmonic computations of vibrational spectra for large molecular systems
inferredcites →https://doi.org/10.1007/s00214-012-1145-7openalex-snapshot
Density-functional expansion methods: grand challenges
inferredcites →https://doi.org/10.1007/s00214-012-1201-3openalex-snapshot
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case
inferredcites →https://doi.org/10.1007/s00894-007-0233-4openalex-snapshot
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
inferredcites →https://doi.org/10.1016/0009-2614(96)00349-1openalex-snapshot
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
inferredcites →https://doi.org/10.1016/j.commatsci.2009.07.013openalex-snapshot
Density-functional tight-binding for beginners
inferredcites →https://doi.org/10.1016/j.cplett.2004.10.020openalex-snapshot
Performances of different density functionals in the computation of vibrational spectra beyond the harmonic approximation
inferredcites →https://doi.org/10.1016/j.cplett.2005.06.093openalex-snapshot
Accurate vibrational frequencies using the self-consistent-charge density-functional tight-binding method
inferredcites →https://doi.org/10.1016/j.molstruc.2011.10.012openalex-snapshot
Fully ab initio IR spectra for complex molecular systems from perturbative vibrational approaches: Glycine as a test case
inferredcites →https://doi.org/10.1021/ct1001818openalex-snapshot
An Implicit Solvent Model for SCC-DFTB with Charge-Dependent Radii
inferredcites →https://doi.org/10.1021/ct100212popenalex-snapshot
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies
inferredcites →https://doi.org/10.1021/ct1005906openalex-snapshot
Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations
inferredcites →https://doi.org/10.1021/ct1006086openalex-snapshot
Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters
inferredcites →https://doi.org/10.1021/ct100684sopenalex-snapshot
DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB)
inferredcites →https://doi.org/10.1021/ct200327sopenalex-snapshot
Automated Repulsive Parametrization for the DFTB Method
inferredcites →https://doi.org/10.1021/ct200376zopenalex-snapshot
Polarizable Force Fields and Polarizable Continuum Model: A Fluctuating Charges/PCM Approach. 1. Theory and Implementation
inferredcites →https://doi.org/10.1021/ct200461yopenalex-snapshot
Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States
inferredcites →https://doi.org/10.1021/ct200552mopenalex-snapshot
Accurate Anharmonic Vibrational Frequencies for Uracil: The Performance of Composite Schemes and Hybrid CC/DFT Model
inferredcites →https://doi.org/10.1021/ct200814mopenalex-snapshot
General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark Studies
inferredcites →https://doi.org/10.1021/ct3005062openalex-snapshot
Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical Hamiltonian
inferredcites →https://doi.org/10.1021/ct300635copenalex-snapshot
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
inferredcites →https://doi.org/10.1021/ct300849wopenalex-snapshot
Parametrization and Benchmark of DFTB3 for Organic Molecules
inferredcites →https://doi.org/10.1021/ct9001366openalex-snapshot
Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model
inferredcites →https://doi.org/10.1021/ct900594hopenalex-snapshot
Accurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD(T) Computations
inferredcites →https://doi.org/10.1021/ct900660xopenalex-snapshot
Vibrational Raman Spectra from the Self-Consistent Charge Density Functional Tight Binding Method via Classical Time-Correlation Functions
inferredcites →https://doi.org/10.1021/j100038a016openalex-snapshot
Acetaldehyde: Harmonic Frequencies, Force Field, and Infrared Intensities
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1021/ja0460561openalex-snapshot
Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution: A TD-DFT Quantum Mechanical Study
inferredcites →https://doi.org/10.1021/ja108903uopenalex-snapshot
Dramatic Reduction of IR Vibrational Cross Sections of Molecules Encapsulated in Carbon Nanotubes
inferredcites →https://doi.org/10.1021/jp037288+openalex-snapshot
Class IV Charge Model for the Self-Consistent Charge Density-Functional Tight-Binding Method
inferredcites →https://doi.org/10.1021/jp0406114openalex-snapshot
Calculations of Vibrational Energy Levels by Using a Hybrid ab Initio and DFT Quartic Force Field: Application to Acetonitrile
inferredcites →https://doi.org/10.1021/jp064544kopenalex-snapshot
Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules
inferredcites →https://doi.org/10.1021/jp070173bopenalex-snapshot
Self-Interaction and Strong Correlation in DFTB
inferredcites →https://doi.org/10.1021/jp102814popenalex-snapshot
Coarse-Grained Time-Dependent Density Functional Simulation of Charge Transfer in Complex Systems: Application to Hole Transfer in DNA
inferredcites →https://doi.org/10.1021/jp1060717openalex-snapshot
Modeling the Structure and Absorption Spectra of Stilbazolium Merocyanine in Polar and Nonpolar Solvents Using Hybrid QM/MM Techniques
inferredcites →https://doi.org/10.1021/jp1070852openalex-snapshot
DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction
inferredcites →https://doi.org/10.1021/jp1101913openalex-snapshot
Excitation Energies in Solution: The Fully Polarizable QM/MM/PCM Method
inferredcites →https://doi.org/10.1021/jp307264fopenalex-snapshot
Improved Electronic Properties from Third-Order SCC-DFTB with Cost Efficient Post-SCF Extensions
inferredcites →https://doi.org/10.1021/jp902973mopenalex-snapshot
Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to Hydrocarbons
inferredcites →https://doi.org/10.1021/jp952485xopenalex-snapshot
Neutron Inelastic Scattering, Optical Spectroscopies and Scaled Quantum Mechanical Force Fields for Analyzing the Vibrational Dynamics of Pyrimidine Nucleic Acid Bases. 1. Uracil
inferredcites →https://doi.org/10.1021/jp9716997openalex-snapshot
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
inferredcites →https://doi.org/10.1021/jp971959kopenalex-snapshot
Evaluation of Solvent Effects in Isotropic and Anisotropic Dielectrics and in Ionic Solutions with a Unified Integral Equation Method: Theoretical Bases, Computational Implementation, and Numerical Applications
inferredcites →https://doi.org/10.1021/jp972682ropenalex-snapshot
New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions
inferredcites →https://doi.org/10.1021/nn1004205openalex-snapshot
Convergence in the Evolution of Nanodiamond Raman Spectra with Particle Size: A Theoretical Investigation
inferredcites →https://doi.org/10.1023/a:1019133611148openalex-snapshot
New applications of integral equations methods for solvation continuum models: ionic solutions and liquid crystals
inferredcites →https://doi.org/10.1039/b902528fopenalex-snapshot
An ab initio and TD-DFT study of solvent effect contributions to the electronic spectrum of Nile Red
inferredcites →https://doi.org/10.1039/b927489hopenalex-snapshot
Planar vs. twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory
inferredcites →https://doi.org/10.1039/c1cp21475fopenalex-snapshot
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations
inferredcites →https://doi.org/10.1039/c1cp21636hopenalex-snapshot
Reliable structural, thermodynamic, and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modeling: the case of glycine@Si(100)
inferredcites →https://doi.org/10.1039/c2cp40321hopenalex-snapshot
Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbons
inferredcites →https://doi.org/10.1039/c2cp41006kopenalex-snapshot
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
inferredcites →https://doi.org/10.1063/1.1328070openalex-snapshot
Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model
inferredcites →https://doi.org/10.1063/1.1329889openalex-snapshot
Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment
inferredcites →https://doi.org/10.1063/1.1394921openalex-snapshot
Time-dependent density functional theory for molecules in liquid solutions
inferredcites →https://doi.org/10.1063/1.1480445openalex-snapshot
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
inferredcites →https://doi.org/10.1063/1.1637580openalex-snapshot
Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximation
inferredcites →https://doi.org/10.1063/1.1775786openalex-snapshot
Analytical second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding method
inferredcites →https://doi.org/10.1063/1.1824881openalex-snapshot
Anharmonic vibrational properties by a fully automated second-order perturbative approach
inferredcites →https://doi.org/10.1063/1.2712433openalex-snapshot
Analytic derivatives for perturbatively corrected “double hybrid” density functionals: Theory, implementation, and applications
inferredcites →https://doi.org/10.1063/1.3152882openalex-snapshot
Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: Application to polycyclic aromatic hydrocarbon clusters
inferredcites →https://doi.org/10.1063/1.3359469openalex-snapshot
Continuous surface charge polarizable continuum models of solvation. I. General formalism
inferredcites →https://doi.org/10.1063/1.3454683openalex-snapshot
A variational formulation of the polarizable continuum model
inferredcites →https://doi.org/10.1063/1.3587052openalex-snapshot
Density-functional expansion methods: Generalization of the auxiliary basis
inferredcites →https://doi.org/10.1063/1.3630920openalex-snapshot
Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: Reaction field, cavity field and nonequilibrium effects
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.466842openalex-snapshot
Analytical derivatives for molecular solutes. I. Hartree–Fock energy first derivatives with respect to external parameters in the polarizable continuum model
inferredcites →https://doi.org/10.1063/1.467506openalex-snapshot
Analytical derivatives for molecular solutes. II. Hartree–Fock energy first and second derivatives with respect to nuclear coordinates
inferredcites →https://doi.org/10.1063/1.471140openalex-snapshot
Dynamic polarizabilities and excitation spectra from a molecular implementation of time-dependent density-functional response theory: N2 as a case study
inferredcites →https://doi.org/10.1063/1.474659openalex-snapshot
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
inferredcites →https://doi.org/10.1063/1.474671openalex-snapshot
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
inferredcites →https://doi.org/10.1063/1.476878openalex-snapshot
Excited states and solvatochromic shifts within a nonequilibrium solvation approach: A new formulation of the integral equation formalism method at the self-consistent field, configuration interaction, and multiconfiguration self-consistent field level
inferredcites →https://doi.org/10.1103/physrevb.31.1770openalex-snapshot
Simplified method for calculating the energy of weakly interacting fragments
inferredcites →https://doi.org/10.1103/physrevb.39.12520openalex-snapshot
Tight-binding models and density-functional theory
inferredcites →https://doi.org/10.1103/physrevb.58.7260openalex-snapshot
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
inferredcites →https://doi.org/10.1103/physrevb.63.085108openalex-snapshot
Tight-binding approach to time-dependent density-functional response theory
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1142/9789812775702_0053openalex-snapshot
PARAMETERIZATION OF COSMO SOLVENT MODEL FOR SELF-CONSISTENT CHARGE DENSITY-FUNCTIONAL BASED TIGHT-BINDING CALCULATIONS

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.4786754openalex-extracted
Predicting Pka Values of Aniline Radical Cations vs. Stable Anilinium Ions in Aqueous Media
inferred← citeshttps://doi.org/10.1002/9783527664610.ch2openalex-snapshot
Computational Spectroscopy Tools for Molecular Structure Analysis
inferred← citeshttps://doi.org/10.1002/9783527678211.ch10openalex-snapshot
Computational Tools for Structure, Spectroscopy and Thermochemistry
inferred← citeshttps://doi.org/10.1002/adts.201800084openalex-snapshot
Computational Spectroscopy of Ionic Liquids for Bulk Structure Elucidation
inferred← citeshttps://doi.org/10.1002/jcc.24046openalex-snapshot
SCC‐DFTB parameters for simulating hybrid gold‐thiolates compounds
inferred← citeshttps://doi.org/10.1002/poc.3251openalex-snapshot
The structure and vibrational features of proton disolvates in water-ethanol solutions of HCl: the combined spectroscopic and theoretical study
inferred← citeshttps://doi.org/10.1002/qua.24887openalex-snapshot
A fast charge‐Dependent atom‐pairwise dispersion correction for DFTB3
inferred← citeshttps://doi.org/10.1007/978-3-319-21626-3_17openalex-snapshot
Computational Spectroscopy in Solution: Methods and Models for Investigating Complex Systems
inferred← citeshttps://doi.org/10.1016/bs.arcc.2022.09.001openalex-snapshot
Recent advances in solvation modeling applications: Chemical properties, reaction mechanisms and catalysis
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.07.010openalex-snapshot
Spectral features of guanidinium-carboxylate salt bridges. The combined ATR-IR and theoretical studies of aqueous solution of guanidinium acetate
inferred← citeshttps://doi.org/10.1016/j.molstruc.2024.140465openalex-snapshot
Exploration of pyridine-thiazolidin-4-one: Synthesis, DFT study, UV–Vis/ fluorescence spectroscopy analysis, antibacterial evaluation and molecular docking
inferred← citeshttps://doi.org/10.1016/j.pmatsci.2020.100664openalex-snapshot
Deformation behavior and amorphization in icosahedral boron-rich ceramics
inferred← citeshttps://doi.org/10.1016/j.poly.2025.117773openalex-snapshot
Synthesis and spectroscopic characterization of new magnesium isoporphyrins: A combined experimental and computational study
inferred← citeshttps://doi.org/10.1021/acs.chemrev.3c00902openalex-snapshot
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01171openalex-snapshot
Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00471openalex-snapshot
Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c01066openalex-snapshot
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach
inferred← citeshttps://doi.org/10.1021/acs.jctc.5b00734openalex-snapshot
Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00082openalex-snapshot
Determination of Two-Photon-Absorption Cross Sections Using Time-Dependent Density Functional Theory Tight Binding: Application to Fluorescent Protein Chromophores
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00688openalex-snapshot
Performances of Density Functional Tight-Binding Methods for Describing Ground and Excited State Geometries of Organic Molecules
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00888openalex-snapshot
Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b10732openalex-snapshot
DFTB/PCM Applied to Ground and Excited State Potential Energy Surfaces
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b03713openalex-snapshot
Time-Dependent Long-Range-Corrected Density-Functional Tight-Binding Method Combined with the Polarizable Continuum Model
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b04920openalex-snapshot
Methods To Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous pKa Values: Comparison between Choosing an Optimal Theoretical Level, Solute Cavity Scaling, and Using Explicit Solvent Molecules
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c03810openalex-snapshot
Mechanistic Insights into the Eco-Friendly Conifer Cone Extract’s Corrosion Inhibition on Steel Rebar and Cement Mortar: An Experimental and Simulation Approach
inferred← citeshttps://doi.org/10.1021/acsomega.7b01034openalex-snapshot
Hydration of the Carboxylate Group in Anti-Inflammatory Drugs: ATR-IR and Computational Studies of Aqueous Solution of Sodium Diclofenac
inferred← citeshttps://doi.org/10.1021/cr500524copenalex-snapshot
Large-Scale Computations in Chemistry: A Bird’s Eye View of a Vibrant Field
inferred← citeshttps://doi.org/10.1021/ct400932eopenalex-snapshot
A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects
inferred← citeshttps://doi.org/10.1021/jp404574mopenalex-snapshot
Is There a Simple Way to Reliable Simulations of Infrared Spectra of Organic Compounds?
inferred← citeshttps://doi.org/10.1021/jp412782nopenalex-snapshot
Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers
inferred← citeshttps://doi.org/10.1021/jp510101yopenalex-snapshot
Toward Feasible and Comprehensive Computational Protocol for Simulation of the Spectroscopic Properties of Large Molecular Systems: The Anharmonic Infrared Spectrum of Uracil in the Solid State by the Reduced Dimensionality/Hybrid VPT2 Approach
inferred← citeshttps://doi.org/10.1039/c4dt02151gopenalex-snapshot
Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy) 3 ] 2+ as a case study
inferred← citeshttps://doi.org/10.1039/c5ra02498fopenalex-snapshot
The applicability of the dimeric heterosynthon concept to molecules with equivalent binding sites. A DFT study of crystalline urea–H 2 O 2
inferred← citeshttps://doi.org/10.1039/c6cp02186gopenalex-snapshot
The fragment molecular orbital method combined with density-functional tight-binding and the polarizable continuum model
inferred← citeshttps://doi.org/10.1039/c6py01326kopenalex-snapshot
Synthesis and characterization of copolycarbonates having azobenzene units in the main chain as an active group for optical logic gate devices
inferred← citeshttps://doi.org/10.1039/c7cp07104copenalex-snapshot
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push–pull flexible quinolinium cation
inferred← citeshttps://doi.org/10.1039/d1se00041aopenalex-snapshot
Multifactor theoretical modeling of solar thermal fuels built on azobenzene and norbornadiene scaffolds
inferred← citeshttps://doi.org/10.1063/1.4862682openalex-snapshot
Vibrational optical activity of chiral carbon nanoclusters treated by a generalized π-electron method
inferred← citeshttps://doi.org/10.1063/1.4929926openalex-snapshot
Time-dependent density-functional tight-binding method with the third-order expansion of electron density
inferred← citeshttps://doi.org/10.1063/5.0064092openalex-snapshot
Computational spectroscopy of complex systems
inferred← citeshttps://doi.org/10.1155/2022/5921373openalex-snapshot
Molecular Dynamics Study on Crystallization Patterns in Tunnel Drainage Pipes in Alkaline Geological Environments
inferred← citeshttps://doi.org/10.2174/1568026620666201207095626openalex-snapshot
Docking Paradigm in Drug Design
inferred← citeshttps://doi.org/10.24193/subbphys.2022.09openalex-snapshot
VIBRATIONAL FEATURES OF DIPHENYLHYDANTOIN
inferred← citeshttps://doi.org/10.3175/molsci.10.a0085openalex-snapshot
Development of Molecular Vibrational Structure Theory with an Explicit Account of Anharmonicity
inferred← citeshttps://doi.org/10.3390/ijms23116302openalex-snapshot
Molecular Dynamics Simulation of Association Processes in Aqueous Solutions of Maleate Salts of Drug-like Compounds: The Role of Counterion
inferred← citeshttps://doi.org/10.3390/molecules27103350openalex-snapshot
Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs
inferred← citeshttps://doi.org/10.3390/molecules29194522openalex-snapshot
Predicting pKa Values of Para-Substituted Aniline Radical Cations vs. Stable Anilinium Ions in Aqueous Media
inferred← citeshttps://doi.org/10.3390/nano12111901openalex-snapshot
Comprehensive Study of the Chemistry behind the Stability of Carboxylic SWCNT Dispersions in the Development of a Transparent Electrode
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.