On the public citation graph
Accurate DFT Descriptions for Weak Interactions of Molecules Containing Sulfur
0 signed · 80 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known work and none has been retracted — and get a dated CiteStamped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/10.1007/978-1-4757-0961-2openalex-snapshot
Molecular Spectra and Molecular Structure
inferredcites →https://doi.org/10.1016/0009-2614(90)87050-2openalex-snapshot
Comparison of Morokuma and perturbation theory approaches to decomposition of interaction energy. (NH4)+…NH3
inferredcites →https://doi.org/10.1016/0038-1098(90)90686-6openalex-snapshot
A straightforward method for generating soft transferable pseudopotentials
inferredcites →https://doi.org/10.1016/j.cplett.2008.02.110openalex-snapshot
Accurate treatment of van der Waals interactions using standard density functional theory methods with effective core-type potentials: Application to carbon-containing dimers
inferredcites →https://doi.org/10.1021/ac00031a733openalex-snapshot
JOURNAL OF Physical and Chemical Reference Data
inferredcites →https://doi.org/10.1021/ct060044jopenalex-snapshot
Assessment of Model Chemistries for Noncovalent Interactions
inferredcites →https://doi.org/10.1021/ct6002719openalex-snapshot
Density Functionals for Noncovalent Interaction Energies of Biological Importance
inferredcites →https://doi.org/10.1021/ct700049sopenalex-snapshot
Weakly Bonded Complexes of Aliphatic and Aromatic Carbon Compounds Described with Dispersion Corrected Density Functional Theory
inferredcites →https://doi.org/10.1021/j100282a013openalex-snapshot
Conversion of sulfur dioxide to sulfur trioxide facilitated by in situ UV photolysis of formaldehyde and sulfur dioxide in an oxygen matrix at 12 K
inferredcites →https://doi.org/10.1021/ja00033a004openalex-snapshot
Computational studies of nonbonded sulfur-oxygen and selenium-oxygen interactions in the thiazole and selenazole nucleosides
inferredcites →https://doi.org/10.1021/ja00445a017openalex-snapshot
The experimental charge distribution in sulfur containing molecules. Analysis of cyclic octasulfur at 300 and 100 K
inferredcites →https://doi.org/10.1021/jp027744eopenalex-snapshot
Theoretical Investigation of the Reactivity of Copper Atoms with Carbon Disulfide
inferredcites →https://doi.org/10.1021/jp044525fopenalex-snapshot
The Electrostatic Origin of Abraham's Solute Polarity Parameter
inferredcites →https://doi.org/10.1021/jp050121ropenalex-snapshot
Energy Ranking of Molecular Crystals Using Density Functional Theory Calculations and an Empirical van der Waals Correction
inferredcites →https://doi.org/10.1021/jp0750102openalex-snapshot
Predicting Noncovalent Interactions between Aromatic Biomolecules with London-Dispersion-Corrected DFT
inferredcites →https://doi.org/10.1039/b718594dopenalex-snapshot
Describing weak interactions of biomolecules with dispersion-corrected density functional theory
inferredcites →https://doi.org/10.1063/1.1316015openalex-snapshot
From molecules to solids with the DMol3 approach
inferredcites →https://doi.org/10.1063/1.457743openalex-snapshot
On decomposition of second-order Mo/ller–Plesset supermolecular interaction energy and basis set effects
inferredcites →https://doi.org/10.1063/1.460229openalex-snapshot
The microwave spectrum, structure, and tunneling motion of the sulfur dioxide dimer
inferredcites →https://doi.org/10.1063/1.462292openalex-snapshot
Stationary points on the potential energy surfaces of (SO2)2 and (SO2)3
inferredcites →https://doi.org/10.1063/1.477924openalex-snapshot
A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
inferredcites →https://doi.org/10.1103/physrevb.44.4032openalex-snapshot
Fluctuation attraction in condensed matter: A nonlocal functional approach
inferredcites →https://doi.org/10.1103/physrevb.54.1703openalex-snapshot
Separable dual-space Gaussian pseudopotentials
inferredcites →https://doi.org/10.1103/physrevb.71.195119openalex-snapshot
Performance of optimized atom-centered potentials for weakly bonded systems using density functional theory
inferredcites →https://doi.org/10.1103/physrevb.75.205131openalex-snapshot
Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr
inferredcites →https://doi.org/10.1103/physrevlett.76.102openalex-snapshot
van der Waals Interactions in Density-Functional Theory
inferredcites →https://doi.org/10.1103/physrevlett.93.153004openalex-snapshot
Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory
inferredcites →https://doi.org/10.1107/s0108270190011714openalex-snapshot
Structures of the 2',3'-dideoxy and 2',3'-didehydro-2',3'-dideoxy analogs of tiazofurin
inferredcites →https://doi.org/10.1119/1.1932852openalex-snapshot
Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules
inferredcites →https://doi.org/10.1146/annurev.pc.45.100194.000323openalex-snapshot
AB Initio Studies of Hydrogen Bonds: The Water Dimer Paradigm
inferredcites →https://doi.org/10.1246/bcsj.48.1685openalex-snapshot
General Anharmonic Force Constants of Carbon Disulfide
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/advs.202508854openalex-snapshot
Utilizing Proteolytic‐Resistant Nano‐Short Peptide Based on Naphthyl Tail‐Anchored to Combat Bacterial Infections
inferred← citeshttps://doi.org/10.1002/apj.70001openalex-snapshot
KCl Supported by γ‐Al2O3 for Selective Adsorption of Gaseous Oxidized Mercury: Flue Gas Influence and Application
inferred← citeshttps://doi.org/10.1002/jcc.21389openalex-snapshot
A compound QM/MM procedure: Comparative performance on a pyruvate formate‐lyase model system
inferred← citeshttps://doi.org/10.1002/poc.1606openalex-snapshot
Dispersion interactions in density‐functional theory
inferred← citeshttps://doi.org/10.1002/prep.202300272openalex-snapshot
IGMH‐based research on the intramolecular weak interaction of TKX‐50
inferred← citeshttps://doi.org/10.1002/wcms.8openalex-snapshot
Noncovalent interactions in biochemistry
inferred← citeshttps://doi.org/10.1016/b978-1-60805-865-5.50008-3openalex-snapshot
Computational Chemistry Strategies Tackling Function and Inhibition of Pharmaceutically Relevant Targets
inferred← citeshttps://doi.org/10.1016/j.calphad.2010.07.002openalex-snapshot
Thermodynamic modeling of the Pd–S system supported by first-principles calculations
inferred← citeshttps://doi.org/10.1016/j.chphi.2021.100047openalex-snapshot
High-level thermochemistry for the octasulfur ring: A converged coupled cluster perspective for a challenging second-row system
inferred← citeshttps://doi.org/10.1016/j.comptc.2010.10.027openalex-snapshot
The effect of cluster thickness on the adsorption of CH4 on Pdn
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.06.030openalex-snapshot
Hexamers and witchamers: Which hex do you choose?
inferred← citeshttps://doi.org/10.1016/j.molstruc.2025.144581openalex-snapshot
Metal-free, solvent-controlled divergent synthesis of substituted α-keto amides/ benzimidazo-quinazolines: DFT, crystallographic analysis and in silico studies
inferred← citeshttps://doi.org/10.1016/j.xcrp.2024.102294openalex-snapshot
Mechanisms of proton transport in aqueous acid solutions
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00533openalex-snapshot
Dispersion-Corrected Mean-Field Electronic Structure Methods
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00305openalex-snapshot
Vapor Liquid Equilibria of Hydrofluorocarbons Using Dispersion-Corrected and Nonlocal Density Functionals
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b10298openalex-snapshot
Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes
inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c01141openalex-snapshot
Water Layering Affects Hydroxide Diffusion in Functionalized Nanoconfined Environments
inferred← citeshttps://doi.org/10.1021/acs.jpclett.1c04071openalex-snapshot
Controlling Hydronium Diffusivity in Model Proton Exchange Membranes
inferred← citeshttps://doi.org/10.1021/cr1000173openalex-snapshot
Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
inferred← citeshttps://doi.org/10.1021/ct1001494openalex-snapshot
A System-Dependent Density-Based Dispersion Correction
inferred← citeshttps://doi.org/10.1021/ct3007524openalex-snapshot
Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional Theory
inferred← citeshttps://doi.org/10.1021/ct400697nopenalex-snapshot
Generalized QM/MM Force Matching Approach Applied to the 11-cis Protonated Schiff Base Chromophore of Rhodopsin
inferred← citeshttps://doi.org/10.1021/ct9003756openalex-snapshot
Dispersion Corrected Atom-Centered Potentials for Phosphorus
inferred← citeshttps://doi.org/10.1021/jo402420topenalex-snapshot
The Alkaline Hydrolysis of Sulfonate Esters: Challenges in Interpreting Experimental and Theoretical Data
inferred← citeshttps://doi.org/10.1021/jp102346nopenalex-snapshot
O−H···O versus O−H···S Hydrogen Bonding. 2. Alcohols and Thiols as Hydrogen Bond Acceptors
inferred← citeshttps://doi.org/10.1021/jp306040nopenalex-snapshot
Hydrocarbon Adsorption on Carbonate Mineral Surfaces: A First-Principles Study with van der Waals Interactions
inferred← citeshttps://doi.org/10.1021/jp810323mopenalex-snapshot
Hydrogen Bonding Described Using Dispersion-Corrected Density Functional Theory
inferred← citeshttps://doi.org/10.1021/jp901001wopenalex-snapshot
Binding in Thiophene and Benzothiophene Dimers Investigated By Density Functional Theory with Dispersion-Correcting Potentials
inferred← citeshttps://doi.org/10.1021/jp905471dopenalex-snapshot
Design of an Organic Zeolite toward the Selective Adsorption of Small Molecules at the Dispersion Corrected Density Functional Theory Level
inferred← citeshttps://doi.org/10.1038/s42004-023-00878-6openalex-snapshot
Search for a Grotthuss mechanism through the observation of proton transfer
inferred← citeshttps://doi.org/10.1039/b811056popenalex-snapshot
Predicting solvation energies for kinetic modeling
inferred← citeshttps://doi.org/10.1039/b918371jopenalex-snapshot
Oxygen, sulfur, selenium, tellurium and polonium
inferred← citeshttps://doi.org/10.1039/b919152fopenalex-snapshot
Accurate dispersion interactions from standard density-functional theory methods with small basis sets
inferred← citeshttps://doi.org/10.1039/c3cp44644aopenalex-snapshot
Weakly bound PTCDI and PTCDA dimers studied by using MP2 and DFT methods with dispersion correction
inferred← citeshttps://doi.org/10.1039/c3cp51179kopenalex-snapshot
Modeling catalytic promiscuity in the alkaline phosphatase superfamily
inferred← citeshttps://doi.org/10.1039/d0ta10565aopenalex-snapshot
Hydronium ion diffusion in model proton exchange membranes at low hydration: insights from ab initio molecular dynamics
inferred← citeshttps://doi.org/10.1039/d2ob01602hopenalex-snapshot
Impacts of noncovalent interactions involving sulfur atoms on protein stability, structure, folding, and bioactivity
inferred← citeshttps://doi.org/10.1063/1.3269802openalex-snapshot
Density functional method including weak interactions: Dispersion coefficients based on the local response approximation
inferred← citeshttps://doi.org/10.1063/5.0222398openalex-snapshot
Proton transport mechanisms in aqueous acids: Insights from ab initio molecular dynamics simulations
inferred← citeshttps://doi.org/10.1080/00268976.2013.793834openalex-snapshot
Force correcting atom centred potentials for generalised gradient approximated density functional theory: Approaching hybrid functional accuracy for geometries and harmonic frequencies in small chlorofluorocarbons
inferred← citeshttps://doi.org/10.1139/v10-046openalex-snapshot
The assessment of density functionals for DNA–protein stacked and T-shaped complexes
inferred← citeshttps://doi.org/10.1142/s1793984412300063openalex-snapshot
MOLECULAR BIOLOGY AT THE QUANTUM LEVEL: CAN MODERN DENSITY FUNCTIONAL THEORY FORGE THE PATH?
inferred← citeshttps://doi.org/10.1371/journal.pone.0038794openalex-snapshot
Two Glycosylation Sites in H5N1 Influenza Virus Hemagglutinin That Affect Binding Preference by Computer-Based Analysis
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-c4r6popenalex-snapshot
Recent Developments in Noncovalent Interaction Methods
inferred← citeshttps://doi.org/10.3390/coatings15101134openalex-snapshot
Investigation on the Interfacial Behavior of Thiols on Silver Surface by DFT Study and MD Simulation
inferred← citeshttps://doi.org/10.3390/membranes11050355openalex-snapshot
OH− and H3O+ Diffusion in Model AEMs and PEMs at Low Hydration: Insights from Ab Initio Molecular Dynamics
inferred← citeshttps://doi.org/10.70675/083de56dz22adz4b2bz964azc99d751cfce1openalex-snapshot
Search for optimal structure of carbon-based porous adsorbents for hydrogen storage : numerical modeling approach
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.