On the public citation graph
Steric Effects. I. Van der Waals Potential Energy Curves
0 signed · 193 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known work and none has been retracted — and get a dated CiteStamped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/10.1021/j150388a003openalex-snapshot
Intermolecular Forces and the Properties of Gases.
inferredcites →https://doi.org/10.1021/ja01347a022openalex-snapshot
STERIC HINDRANCE AND COLLISION DIAMETERS1
inferredcites →https://doi.org/10.1063/1.1724095openalex-snapshot
The Theory of the Racemization of Optically Active Derivatives of Diphenyl
inferredcites →https://doi.org/10.1063/1.1746491openalex-snapshot
A Calculation of the Energy of Activation for the Racemization of 2,2′-Dibromo−4,4′-Dicarboxydiphenyl
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0470027320.s4204openalex-snapshot
Calculation of Vibrational Frequencies by Molecular Mechanics
inferred← citeshttps://doi.org/10.1002/9780470171912.ch4openalex-snapshot
Quantitative Models of Steric Effects
inferred← citeshttps://doi.org/10.1002/9780470171936.ch3openalex-snapshot
Treatment of Steric Effects
inferred← citeshttps://doi.org/10.1002/9780470608852.ch4openalex-snapshot
Molecular Mechanics of Alkanes
inferred← citeshttps://doi.org/10.1002/9781119971160.ch2openalex-snapshot
Methods of Mechanics of Discontinua
inferred← citeshttps://doi.org/10.1002/bbpc.19710751106openalex-snapshot
Zur Konformation sterisch gehinderter Aryläthylene
inferred← citeshttps://doi.org/10.1002/cplu.202100518openalex-snapshot
Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo‐1,5‐dichalcogenocines
inferred← citeshttps://doi.org/10.1002/hc.520010313openalex-snapshot
Second‐row anomeric interactions: The involvement of phosphorus
inferred← citeshttps://doi.org/10.1002/jcc.10268openalex-snapshot
Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds
inferred← citeshttps://doi.org/10.1002/jcc.21109openalex-snapshot
2D depiction of nonbonding interactions for protein complexes
inferred← citeshttps://doi.org/10.1002/jcc.540010202openalex-snapshot
Molecular mechanics of organic halides. III. Fluorinated olefins
inferred← citeshttps://doi.org/10.1002/jcc.540010306openalex-snapshot
Graphite: A molecular mechanics treatment
inferred← citeshttps://doi.org/10.1002/jcc.540070420openalex-snapshot
A New Method for Molecular Mechanics
inferred← citeshttps://doi.org/10.1002/jcc.540150708openalex-snapshot
Force field for computation of conformational energies, structures, and vibrational frequencies of aromatic polyesters
inferred← citeshttps://doi.org/10.1002/macp.1966.020920119openalex-snapshot
A new principle of polymer structure
inferred← citeshttps://doi.org/10.1002/mrc.1260230807openalex-snapshot
Intramolecular van der waals interactions and chemical shifts: A model for β‐ and γ‐effects
inferred← citeshttps://doi.org/10.1002/mrc.1260240202openalex-snapshot
Intramolecular van der Waals interactions and 13C chemical shifts: Substituent effects in some cyclic and bicyclic systems
inferred← citeshttps://doi.org/10.1002/poc.610020406openalex-snapshot
Lack of manifestation of an anomeric effect in 2‐diphenylphosphinoyl‐1, 3‐dioxane and 2‐diphenylphosphinoyl‐1, 3‐oxathiane1
inferred← citeshttps://doi.org/10.1002/pol.1964.100020813openalex-snapshot
Lattice modes of polyethylene
inferred← citeshttps://doi.org/10.1002/prac.19743160418openalex-snapshot
Quantenchemische Berechnungen zur Molekülstruktur konjugierter Verbindungen. III.. Vergleichende π‐ und Allvalenzelektronen‐MO‐Berechnungen an Butadien‐(1,3), Glyoxal und Biphenyl
inferred← citeshttps://doi.org/10.1002/qua.20137openalex-snapshot
Nature of O2, CO, and CN binding to hemoprotein models
inferred← citeshttps://doi.org/10.1002/recl.19660851002openalex-snapshot
Conformation of non‐aromatic ring compounds XXIX: Conformation and pseudorotation intrans‐1,2‐dihalogenocyclopentanes
inferred← citeshttps://doi.org/10.1002/recl.19740930909openalex-snapshot
Recherche d'effets stériques dans la réactivité de la norbornanone‐2 par la mesure des effets isotopiques secondaires du deuterium
inferred← citeshttps://doi.org/10.1007/3-540-06471-0_13openalex-snapshot
Empirical force field calculations
inferred← citeshttps://doi.org/10.1007/3-540-15136-2_3openalex-snapshot
Quantitative structure-reactivity analysis of the inclusion mechanism by cyclodextrins
inferred← citeshttps://doi.org/10.1007/978-3-030-83244-5_3openalex-snapshot
First-Principles Modeling of Non-covalent Interactions in Molecular Systems and Extended Materials
inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_9openalex-snapshot
Molecular Mechanics: Principles, History, and Current Status
inferred← citeshttps://doi.org/10.1007/978-3-642-61279-4_7openalex-snapshot
Molecular Mechanics Alias Mass Points and Elastic Springs Model of Molecules
inferred← citeshttps://doi.org/10.1007/978-3-642-88256-2_20openalex-snapshot
Lösungen von Nichtelektrolyten
inferred← citeshttps://doi.org/10.1007/978-90-481-3034-4_11openalex-snapshot
Molecular Dynamics Simulations: Difficulties, Solutions and Strategies for Treating Metalloenzymes
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_9-2openalex-snapshot
Molecular Mechanics: Principles, History, and Current Status
inferred← citeshttps://doi.org/10.1007/978-94-010-2684-0_2openalex-snapshot
Intermolecular Forces, Interaction Between Non-Bonded Atoms, Conformational Equilibria
inferred← citeshttps://doi.org/10.1007/978-94-015-9105-8_4openalex-snapshot
Molecular Mechanics and Crystal Engineering
inferred← citeshttps://doi.org/10.1007/bf00475283openalex-snapshot
Dipole moments, molar kerr constants, and three-dimensional structure of some 4,5-dihydro-1, 3,5-dithiazines
inferred← citeshttps://doi.org/10.1007/bf00479938openalex-snapshot
Three-dimensional structure of phosphorus-containing heterocycles
inferred← citeshttps://doi.org/10.1007/bf00481096openalex-snapshot
Three-dimensional structure of phosphorus-containing heterocycles
inferred← citeshttps://doi.org/10.1007/bf00743262openalex-snapshot
Energy differences between the rotation isomers of substituted propanes
inferred← citeshttps://doi.org/10.1007/bf00744311openalex-snapshot
Steric hindrance and conformation in aromatic molecules
inferred← citeshttps://doi.org/10.1007/bf00744551openalex-snapshot
Energy differences between substituted benzene positional isomers
inferred← citeshttps://doi.org/10.1007/bf00747107openalex-snapshot
Some problems in conformation analysis of aromatic compounds
inferred← citeshttps://doi.org/10.1007/bf00747322openalex-snapshot
Steric hindrances and conformation of molecules communication 6. Crystal and molecular structure of 4.4′-dichloroacenaphthene
inferred← citeshttps://doi.org/10.1007/bf00753801openalex-snapshot
Conformational equilibrium of cis- and trans-3-chloromethylcyclohexanes
inferred← citeshttps://doi.org/10.1007/bf00848962openalex-snapshot
The effect of reflection in derivatives of tetramethyltetrahydrothiopyran-4-one
inferred← citeshttps://doi.org/10.1007/bf00850507openalex-snapshot
Conformations of some cyclohexenediones and their oxides
inferred← citeshttps://doi.org/10.1007/bf00853826openalex-snapshot
Investigation of the three-dimensional structure of 3,4-dichlorocaranes
inferred← citeshttps://doi.org/10.1007/bf00854537openalex-snapshot
Investigation of the three-dimensional structure of a quinone oxide
inferred← citeshttps://doi.org/10.1007/bf00854599openalex-snapshot
Molecular polarizability and three-dimensional structure of 1,1-dihalo-2-vinylcyclopropanes
inferred← citeshttps://doi.org/10.1007/bf00857816openalex-snapshot
Spatial structure of 1,1-dihalo-2-phenylcyclopropanes
inferred← citeshttps://doi.org/10.1007/bf00859067openalex-snapshot
Possible causes of the stabilization of the axial S=O bond in cyclic sulfites and sulfoxides
inferred← citeshttps://doi.org/10.1007/bf00903818openalex-snapshot
Isomerisierung und Ringinversion von Tribenzaspiro[5.5]undecaphanen
inferred← citeshttps://doi.org/10.1007/bf00904974openalex-snapshot
Investigation of the three-dimensional structure of 3,4-epoxycaranes
inferred← citeshttps://doi.org/10.1007/bf00904975openalex-snapshot
Investigation of the three-dimensional structure of 3,4-dibromocaranes
inferred← citeshttps://doi.org/10.1007/bf00906612openalex-snapshot
Investigation of the three-dimensional structure of ?4-carene and its oxide
inferred← citeshttps://doi.org/10.1007/bf00906965openalex-snapshot
Investigation of the anisotropy of the polarizability and steric structure of certain compounds of the bicyclo[4,1,0] heptane series
inferred← citeshttps://doi.org/10.1007/bf00907655openalex-snapshot
Steric hindrance and the conformation of molecules
inferred← citeshttps://doi.org/10.1007/bf00920888openalex-snapshot
Kerr constants and conformations of certain arylmethylsulfones
inferred← citeshttps://doi.org/10.1007/bf00921984openalex-snapshot
The polarity, polarizability, and conformation of 5,5-bis-(halogenomethyl)-1,3-dioxanes
inferred← citeshttps://doi.org/10.1007/bf00925622openalex-snapshot
Dipole moments, anisotropies of the polarizability, and conformations of aliphatic and aromatic sulfonyl chlorides
inferred← citeshttps://doi.org/10.1007/bf00925624openalex-snapshot
Anisotropy of the polarizability and steric structure of arylvinyl selenides and arylvinyl sulfides
inferred← citeshttps://doi.org/10.1007/bf00926293openalex-snapshot
Steric steucture of substituted oxiranes
inferred← citeshttps://doi.org/10.1007/bf00927479openalex-snapshot
Electronic and steric interactions in molecules of some aromatic dimethylamino derivatives
inferred← citeshttps://doi.org/10.1007/bf00930054openalex-snapshot
Spatial structure of meldrum acid and some of its derivatives
inferred← citeshttps://doi.org/10.1007/bf00944081openalex-snapshot
Theoretical analysis of the structure and intramolecular dynamics of imidazolium halide and N-methylimidazolium halide ion pairs
inferred← citeshttps://doi.org/10.1007/bf00946655openalex-snapshot
Polar properties and conformations of the methyl ethers of the ethylene halohydrins
inferred← citeshttps://doi.org/10.1007/bf00950981openalex-snapshot
Geometrical structures of the substituted oxiranes. 7. The conformations of the nitrooxiranes
inferred← citeshttps://doi.org/10.1007/bf00996491openalex-snapshot
Dipole moments, molar kerr constants, and three-dimensional structure of certain adducts of diene synthesis with the participation of chloroprene
inferred← citeshttps://doi.org/10.1007/bf00996492openalex-snapshot
Synthesis, dipole moments, and three-dimensional structure of thioepihalohydrins
inferred← citeshttps://doi.org/10.1007/bf00996494openalex-snapshot
Configuration of the methyl ester of dimethylphosphinic acid
inferred← citeshttps://doi.org/10.1007/bf01141793openalex-snapshot
Steric hindrances and conformation of molecules
inferred← citeshttps://doi.org/10.1007/bf01141796openalex-snapshot
Van der Waals interaction of hydrocarbon molecules
inferred← citeshttps://doi.org/10.1007/bf01499400openalex-snapshot
Crystallinity in atactic poly (vinyl chloride)
inferred← citeshttps://doi.org/10.1007/bf01507511openalex-snapshot
An analysis of limiting conditions on empirical nonbonded potential functions
inferred← citeshttps://doi.org/10.1007/bf01508063openalex-snapshot
Thermodynamics of adsorption of organic vapours on carbon black
inferred← citeshttps://doi.org/10.1007/bf01680556openalex-snapshot
Strategic approaches to drug design. I. An integrated software framework for molecular modelling
inferred← citeshttps://doi.org/10.1007/bf02711953openalex-snapshot
Van der Waals interactions and the packing of molecular crystals
inferred← citeshttps://doi.org/10.1007/bf02749736openalex-snapshot
Lattice statics of orthorhombic sulphur
inferred← citeshttps://doi.org/10.1007/s10965-024-03961-1openalex-snapshot
Molecular dynamics simulation of the effects of intermolecular interactions on the diffusion mechanism of 1,2,3-benzotriazole in low density polyethylene
inferred← citeshttps://doi.org/10.1016/0009-2614(76)85185-8openalex-snapshot
Lattice-Dynamical calculations on some aromatic fluoro derivatives
inferred← citeshttps://doi.org/10.1016/0009-2614(78)80033-5openalex-snapshot
The morse curve as a non-bonded potential function
inferred← citeshttps://doi.org/10.1016/0009-2614(87)80886-2openalex-snapshot
Model calculations for benzene on Rh(111): a lattice-dynamical approach
inferred← citeshttps://doi.org/10.1016/0021-9797(87)90407-3openalex-snapshot
Insoluble mixed monolayers
inferred← citeshttps://doi.org/10.1016/0021-9797(91)90200-ropenalex-snapshot
Insoluble mixed monolayers
inferred← citeshttps://doi.org/10.1016/0022-2364(85)90379-8openalex-snapshot
Intramolecular van der waals interactions and chemical shifts of alkyl hydroxyl oxygen and alkyl fluorine nuclei
inferred← citeshttps://doi.org/10.1016/0022-2860(73)85270-6openalex-snapshot
Conformational analysis of organophosphorus compounds by means of IR spectroscopy and dipole moment methods
inferred← citeshttps://doi.org/10.1016/0022-2860(77)80012-4openalex-snapshot
Molecular mechanics of saturated organic halides
inferred← citeshttps://doi.org/10.1016/0022-2860(78)87276-7openalex-snapshot
Molecular mechanics of saturated organic halides
inferred← citeshttps://doi.org/10.1016/0022-2860(79)80074-5openalex-snapshot
Empirical atom—atom potential calculations on histamine and 4-methylhistamine
inferred← citeshttps://doi.org/10.1016/0022-2860(81)85019-3openalex-snapshot
Empirical atom—atom potential calculations on twoantagonists in histamene h2-receptors: metiamide and cimetidine
inferred← citeshttps://doi.org/10.1016/0022-2860(81)85057-0openalex-snapshot
Molecular mechanics of organic halides
inferred← citeshttps://doi.org/10.1016/0022-2860(83)90351-4openalex-snapshot
Empirical atom-atom potential calculations on dimaprit, an agonist in histamine H2 Receptors
inferred← citeshttps://doi.org/10.1016/0022-2860(88)80275-8openalex-snapshot
NMR chemical shifts and intramolecular van der Waals interactions: carbonyl and ether systems
inferred← citeshttps://doi.org/10.1016/0022-3697(86)90145-9openalex-snapshot
Vibrational spectra, crystal dynamics and phase transitions of crystalline hexabromoethane and trichlorotribromoethane
inferred← citeshttps://doi.org/10.1016/0032-3950(65)90356-4openalex-snapshot
Dipole radical polymerization and internal rotation in polymers. The potential barriers of internal rotation for polymethylacrylate
inferred← citeshttps://doi.org/10.1016/0032-3950(68)90202-5openalex-snapshot
Energy differences between polyvinylchloride chain conformations
inferred← citeshttps://doi.org/10.1016/0039-6028(80)90405-7openalex-snapshot
An extended hückel study of adsorption of acetylene on Pt(111)
inferred← citeshttps://doi.org/10.1016/0040-4020(67)80074-7openalex-snapshot
Structures and conformations of somed-glycero-pent-2-enopyranosyl derivatives and determination of the relative signs of some associated long-range proton coupling constants
inferred← citeshttps://doi.org/10.1016/0040-4020(75)80129-3openalex-snapshot
Programme de minimisation de l'energie empirique d'une molecule par une methode simpliciale
inferred← citeshttps://doi.org/10.1016/0040-4020(75)80182-7openalex-snapshot
Conformational analysis—CX
inferred← citeshttps://doi.org/10.1016/0040-4020(76)80074-9openalex-snapshot
Stereochemical studies—XX
inferred← citeshttps://doi.org/10.1016/0040-4020(77)80432-8openalex-snapshot
Steric effects in 5-membered rings—VIII
inferred← citeshttps://doi.org/10.1016/0166-1280(83)80059-1openalex-snapshot
Emperical atom—atom potential calculations on dimaprit, an agonist in histamine H2 receptors
inferred← citeshttps://doi.org/10.1016/0166-1280(86)80140-3openalex-snapshot
Simulation of potential energy surfaces for interionic interactions in the ion pairs of 1-acetylimidazolium and 1-acetyl-3-methylimidazolium halides
inferred← citeshttps://doi.org/10.1016/0166-1280(94)80122-3openalex-snapshot
Basis set effects on the intermolecular interaction of hydrocarbon molecules obtained by an ab initio molecular orbital method: evaluation of dispersion energy
inferred← citeshttps://doi.org/10.1016/0301-0104(78)85050-2openalex-snapshot
Chlorine atoms in molecular crystals: Potential energy calculations
inferred← citeshttps://doi.org/10.1016/0371-1951(66)80006-1openalex-snapshot
Third-order potential constants of bent XY2 molecules
inferred← citeshttps://doi.org/10.1016/1059-1311(92)90032-vopenalex-snapshot
Applications of molecular physics ‘biotechnology’ to the rational design of an improved phenytoin analogue
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00246-7openalex-snapshot
Ligand-Based Approaches: Core Molecular Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-12-723140-2.50008-4openalex-snapshot
The Physics of Macromolecules
inferred← citeshttps://doi.org/10.1016/b978-0-12-723150-1.50006-6openalex-snapshot
The Physics of Macromolecules
inferred← citeshttps://doi.org/10.1016/b978-0-12-817586-6.00001-3openalex-snapshot
Sterics, the core of intermolecular interactions
inferred← citeshttps://doi.org/10.1016/b978-012221285-7/50025-5openalex-snapshot
Empirical force field methods and molecular mechanics
inferred← citeshttps://doi.org/10.1016/b978-044451322-9/50012-9openalex-snapshot
4n+2 Systems: Spiropyrans
inferred← citeshttps://doi.org/10.1016/j.chemphys.2005.11.023openalex-snapshot
TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides
inferred← citeshttps://doi.org/10.1016/s0008-6215(00)80613-8openalex-snapshot
The synthesis, equilibration, and conformations of diastereoisomeric 1,2-O-isopropylidene-3,5-O-(methoxymethylidene)-6-O-p-tolylsulfonyl-α-d-glucofuranoses. Conformational evidence from a nuclear overhauser effect
inferred← citeshttps://doi.org/10.1016/s0008-6215(00)83663-0openalex-snapshot
Helical parameters of infinite polymer chains having a diamond-like backbone. application to homopolysaccharides and cyclic oligosaccharides.
inferred← citeshttps://doi.org/10.1016/s0008-6215(00)85696-7openalex-snapshot
The multiple conformations of a cyclic disaccharide: DI-β-d-glucopyranose 1,6′:1′,6-dianhydride hexaacetate
inferred← citeshttps://doi.org/10.1016/s0010-8545(00)80039-9openalex-snapshot
The steric effect in bis(2,2'-bipyridyl) and bis(1,10-phenanthroline) metal compounds
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)82638-7openalex-snapshot
Strain in tertiary butyl derivatives
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)82711-3openalex-snapshot
Conformational effects in compounds with 6-membered rings—VII
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)89185-7openalex-snapshot
CH/π interaction: Implications in organic chemistry
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)90118-8openalex-snapshot
Recent studies of the anomeric effect
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)90261-3openalex-snapshot
Nature of force field operating in molecular recognition by cyclodextrins. Contribution of nonpolar and polar interactions
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)92900-xopenalex-snapshot
Calculs de conformations sur des systèmes tendus
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)93562-8openalex-snapshot
Conformational analysis—LXXXIII
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)93564-1openalex-snapshot
Conformational analysis—XV
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)97167-4openalex-snapshot
Etude conformationnelle des formes ouvertes d'un spiropyranne benzothiazolinique
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)97315-6openalex-snapshot
On the optical activity of paraffinic hydrocarbons
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)97322-3openalex-snapshot
The conformational behaviour of some medium-sized ring systems
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)97849-4openalex-snapshot
Configurational and conformational studies of some B-homo-A-nor-steroids
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)98411-xopenalex-snapshot
Conformational effects in compounds with six-membered rings—IV
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)98542-4openalex-snapshot
Theoretical calculation of steric effects in conjugated systems—I
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)99023-4openalex-snapshot
On the nature of bonds between carbon atoms
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)99255-5openalex-snapshot
Conjugation and non-bonded interaction
inferred← citeshttps://doi.org/10.1016/s0040-4039(01)96120-9openalex-snapshot
Generalized curtin-hammett principle and the elucidation of transition state type. Application to stereoselectivity in lah reduction of alkyl-aryl-ketones.
inferred← citeshttps://doi.org/10.1016/s0065-3160(08)60212-9openalex-snapshot
Calculation of Molecular Structure and Energy by Force-Field Methods
inferred← citeshttps://doi.org/10.1016/s0065-3276(08)60089-1openalex-snapshot
Quantum Theory of Chemical Reactivity
inferred← citeshttps://doi.org/10.1016/s0166-1280(97)00173-5openalex-snapshot
dtmm/cosmic molecular mechanics parameters for alkylphosphines
inferred← citeshttps://doi.org/10.1016/s0166-1280(99)00101-3openalex-snapshot
DTMM and COSMIC molecular mechanics parameters for alkylsilanes
inferred← citeshttps://doi.org/10.1016/s0266-3538(03)00068-xopenalex-snapshot
2-D nano-scale finite element analysis of a polymer field
inferred← citeshttps://doi.org/10.1016/s0277-5387(03)00095-0openalex-snapshot
Nature of FeIII–O2, FeII–CO and FeIII–CN complexes of hemoprotein models
inferred← citeshttps://doi.org/10.1016/s0360-0564(08)60444-7openalex-snapshot
Cyclodextrins and Cyclophanes as Enzyme Models
inferred← citeshttps://doi.org/10.1021/ac60288a017openalex-snapshot
Conformational studies of chelated ethylenediamines by nuclear magnetic resonance. Tris-(ethylenediamine)nickel(II) ion in aqueous solution
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c04979openalex-snapshot
Force-Matching-Based Approach for the Generation of Polarizable and Nonpolarizable Force Fields Applied to CsPbI 3
inferred← citeshttps://doi.org/10.1021/ja00993a017openalex-snapshot
Conformational analysis. LVII. The calculation of the conformational structures of hydrocarbons by the Westheimer-Hendrickson-Wiberg method
inferred← citeshttps://doi.org/10.1021/jp004035xopenalex-snapshot
CF2XCF2X and CF2XCF2• Radicals (X = Cl, Br, I): Ab Initio and DFT Studies and Comparison with Experiments
inferred← citeshttps://doi.org/10.1021/jp0312114openalex-snapshot
Molecular Dynamics Investigation of Transient Nucleation in the Freezing of Clusters of SeF6
inferred← citeshttps://doi.org/10.1023/b:cjop.0000024958.15224.33openalex-snapshot
Relationship between the 2-body Parameters of the Biswas-Hamann and the Bauer-Maysenholder-Seeger Potential Functions
inferred← citeshttps://doi.org/10.1023/b:jiph.0000031111.00613.4copenalex-snapshot
An Improved Force Field for O2, CO and CN Binding to Metalloporphyrins
inferred← citeshttps://doi.org/10.1038/216910b0openalex-snapshot
Role of Van der Waals Interaction on Hindered Rotation about Single Bonds in Simple Molecules
inferred← citeshttps://doi.org/10.1038/s42004-025-01414-4openalex-snapshot
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation
inferred← citeshttps://doi.org/10.1063/1.1696269openalex-snapshot
Method for Calculating Internal Rotation Barriers
inferred← citeshttps://doi.org/10.1063/1.1698805openalex-snapshot
Applications of the Free Volume Theory of Binary Mixtures
inferred← citeshttps://doi.org/10.1063/1.1727176openalex-snapshot
Distortional Effects on the Ethane Internal-Rotation Barrier
inferred← citeshttps://doi.org/10.1063/1.1733148openalex-snapshot
Derivation of Physically Significant Nonbonded Interaction Constants in Hydrides by a Modified Urey—Bradley Analysis
inferred← citeshttps://doi.org/10.1063/1.1746690openalex-snapshot
Steric Effects. II. General Equations. Application to Cis- and Trans−2-Butene
inferred← citeshttps://doi.org/10.1063/1.1747126openalex-snapshot
Diffusion in Photo-Chemical Experiments: The Photo-Chemical Decomposition of Acetone
inferred← citeshttps://doi.org/10.1063/1.1747304openalex-snapshot
Note on Steric Factors for Some Reactions Involving Free Radicals
inferred← citeshttps://doi.org/10.1063/1.1747399openalex-snapshot
Statistical Mechanics of Adsorption. VIII. The Statistical Analogue of the B.E.T. Constant a1b2/b1a2 for Simulated Benzene and Hydrogen Iodide Molecules on Graphite
inferred← citeshttps://doi.org/10.1063/1.1747438openalex-snapshot
Intramolecular Forces between Non-Bonded Atoms
inferred← citeshttps://doi.org/10.1063/1.1978868openalex-snapshot
Potential-energy surface and van der Waals motions of p-difluorobenzene-argon cation
inferred← citeshttps://doi.org/10.1063/1.3567022openalex-snapshot
Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water
inferred← citeshttps://doi.org/10.1063/1.4928762openalex-snapshot
Construction of exchange repulsion in terms of the wave functions at QM/MM boundary region
inferred← citeshttps://doi.org/10.1080/00268975900100381openalex-snapshot
Steric forces in halogen-substituted benzenes
inferred← citeshttps://doi.org/10.1080/01418618308243122openalex-snapshot
The stacking-fault energy in diamond
inferred← citeshttps://doi.org/10.1080/10426509508036946openalex-snapshot
COMPUTER SIMULATION OF PHOSPHORANE STRUCTURES
inferred← citeshttps://doi.org/10.1137/16m106978xopenalex-snapshot
The Geometry of $C_{60}$: A Rigorous Approach via Molecular Mechanics
inferred← citeshttps://doi.org/10.1143/jpsj.16.1185openalex-snapshot
The Crystal Structure of Chloranil and Bromanil
inferred← citeshttps://doi.org/10.1143/jpsj.17.1262openalex-snapshot
The Crystal Structure and Lattice Energy of Halogen Molecules
inferred← citeshttps://doi.org/10.1246/bcsj.45.95openalex-snapshot
Low-Frequency Raman Spectra and Phase Transition of the 1,2-Dichloroethane Crystal
inferred← citeshttps://doi.org/10.1246/bcsj.50.1872openalex-snapshot
Proton NMR Spectra and Conformations of N-Alkyl-N-benzyl-and N-Alkyl-N-(α-chlorobenzyl)carbamoyl Chlorides
inferred← citeshttps://doi.org/10.1246/bcsj.54.2260openalex-snapshot
Computer Counting of the Number of Water Molecules in the First Layer of Crystalline Water Clathrate
inferred← citeshttps://doi.org/10.1246/bcsj.55.1246openalex-snapshot
Molecular Mechanical Calculation on Cyclodextrin Inclusion Complexes. I. The Structures of α-Cyclodextrin Complexes Estimated by van der Waals Interaction Energy Calculation
inferred← citeshttps://doi.org/10.1246/bcsj.61.4225openalex-snapshot
A Molecular Orbital Study of Cyclodextrin Inclusion Complexes. I. The Calculation of the Dipole Moments of α-Cyclodextrin Aromatic Guest Complexes
inferred← citeshttps://doi.org/10.1366/0003702884429274openalex-snapshot
Molecular Geometry Approximations for Chlorinated Dibenzodioxins by Fourier Transform Infrared Spectroscopy
inferred← citeshttps://doi.org/10.1524/zkri.1970.131.1-6.385openalex-snapshot
Van der Waals interactions and molecular packing in crystals of hexa(bromomethyl)benzene and iodoform
inferred← citeshttps://doi.org/10.15446/rev.fac.cienc.v13n1.109657openalex-snapshot
MODELOS DE INTERACCIONES ATÓMICAS EN MECÁNICA MOLECULAR
inferred← citeshttps://doi.org/10.32657/10220/47566openalex-snapshot
Computational modeling investigation of electrolyte materials in solid oxide electrolyser cell
inferred← citeshttps://doi.org/10.32657/10356/54901openalex-snapshot
Constraint-oriented refinement-efficacious memetic algorithms for efficient optimization of computationally-expensive problems
inferred← citeshttps://doi.org/10.3390/90800632openalex-snapshot
A Comparative Study of O2, CO and CN Binding to Heme IX Protein Models
inferred← citeshttps://doi.org/10.3390/app12136492openalex-snapshot
Spectroscopy of Alkali Atoms in Solid Matrices of Rare Gases: Experimental Results and Theoretical Analysis
inferred← citeshttps://doi.org/10.3390/e22050550openalex-snapshot
Molecular Mean-Field Theory of Ionic Solutions: A Poisson-Nernst-Planck-Bikerman Model
inferred← citeshttps://doi.org/10.3390/ma12233876openalex-snapshot
Stochastic Multi-Molecular Modeling Method of Organic-Modified Ceramics in Two-Photon Induced Photopolymerization
inferred← citeshttps://doi.org/10.70675/bd16b908zde01z4a9fz9aa5zad9c5670eb37openalex-snapshot
Towards in silico prediction of mutations related to antibiotic resistance
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.