7
Journals
26.7K
Articles
666K
Citations
5.2K
Authors

Most Cited Articles of Molecular Physics

TitleJournalYearCitations
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics197018.2K
A molecular dynamics method for simulations in the canonical ensembleMolecular Physics19846.7K
Self-consistent perturbation theory of diamagnetismMolecular Physics19743.6K
Ab initio energy-adjusted pseudopotentials for elements of groups 13–17Molecular Physics19932.3K
Constant pressure molecular dynamics for molecular systemsMolecular Physics19832.1K
Advances in molecular quantum chemistry contained in the Q-Chem 4 program packageMolecular Physics20152.1K
Ab initio calculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics19692.1K
The energy gap law for radiationless transitions in large moleculesMolecular Physics19701.9K
Accuracy of AH n equilibrium geometries by single determinant molecular orbital theoryMolecular Physics19741.8K
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensembleMolecular Physics19871.7K
Algorithms for macromolecular dynamics and constraint dynamicsMolecular Physics19771.5K
Elucidation of cross relaxation in liquids by two-dimensional N.M.R. spectroscopyMolecular Physics19801.4K
Left-right correlation energyMolecular Physics20011.3K
Explicit reversible integrators for extended systems dynamicsMolecular Physics19961.3K
Perturbation theory of the non-linear optical polarization of an isolated systemMolecular Physics19711.2K
The Lennard-Jones equation of state revisitedMolecular Physics19931.1K
Phase equilibria of associating fluidsMolecular Physics19881K
An analytic structure factor for macroion solutionsMolecular Physics1981987
Phase equilibria by simulation in the Gibbs ensembleMolecular Physics1988976
Simplification of the molecular vibration-rotation hamiltonianMolecular Physics1968966
The symmetry groups of non-rigid moleculesMolecular Physics1963950
Configurational bias Monte Carlo: a new sampling scheme for flexible chainsMolecular Physics1992912
Multiple absorption of laser photons by atomsJournal of Physics B: Atomic and Molecular Physics1973906
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionalsMolecular Physics2017891
Hoover NPT dynamics for systems varying in shape and sizeMolecular Physics1993871