1.7(top 10%)
Impact Factor
1.7(top 10%)
extended IF
208(top 1%)
H-Index
4.5K
authors
17.5K
papers
457.5K
citations
3.9K
citing journals
67K
citing authors

Most Cited Articles of Molecular Physics

TitleYearCitations
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors197018.2K
A molecular dynamics method for simulations in the canonical ensemble19846.7K
Self-consistent perturbation theory of diamagnetism19743.6K
Ab initio energy-adjusted pseudopotentials for elements of groups 13–1719932.3K
Constant pressure molecular dynamics for molecular systems19832.1K
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package20152.1K
Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules19692.1K
The energy gap law for radiationless transitions in large molecules19701.9K
Accuracy of AH n equilibrium geometries by single determinant molecular orbital theory19741.8K
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble19871.7K
Algorithms for macromolecular dynamics and constraint dynamics19771.5K
Elucidation of cross relaxation in liquids by two-dimensional N.M.R. spectroscopy19801.4K
Left-right correlation energy20011.3K
Explicit reversible integrators for extended systems dynamics19961.3K
Perturbation theory of the non-linear optical polarization of an isolated system19711.2K
The Lennard-Jones equation of state revisited19931.1K
Phase equilibria of associating fluids19881K
An analytic structure factor for macroion solutions1981987
Phase equilibria by simulation in the Gibbs ensemble1988976
Simplification of the molecular vibration-rotation hamiltonian1968966
The symmetry groups of non-rigid molecules1963950
Configurational bias Monte Carlo: a new sampling scheme for flexible chains1992912
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals2017891
Hoover NPT dynamics for systems varying in shape and size1993871
Anharmonic force constant calculations1972869