About
Technology
Issues
FAQ
Title
Abstract
Text
Figure Captions
Table Cells
Section Titles
Keywords
Subjects
Authors
From
2023
2022
2021
2020
2019
2018
2017
2016
2015
2014
2013
2012
2011
2010
2009
2008
2007
2006
2005
2004
2003
2002
2001
2000
1995
1990
1985
1980
1975
1970
1960
1950
1940
1930
1920
1910
1900
1850
1800
1700
1600
To
2023
2022
2021
2020
2019
2018
2017
2016
2015
2014
2013
2012
2011
2010
2009
2008
2007
2006
2005
2004
2003
2002
2001
2000
1995
1990
1985
1980
1975
1970
1960
1950
1940
1930
1920
1910
1900
1850
1800
1700
1600
All Types
Articles
Communications
Reviews
Discussions
Case Reports
Order By
Order By Year ASC
Order By Year DESC
Order By Citations ASC
Order By Citations DESC
Go
Search This Discipline
Journals
High Impact Journals
Most Cited Journals
Most Published Journals
Authors
Most Cited Authors
Most Published Authors
Affiliations
Top Institutions
Top Schools
exaly
›
Disciplines
›
Molecular Physics
›
Top Articles
Molecular Physics
7
Journals
26.7K
Articles
666K
Citations
5.2K
Authors
Most Cited Articles of Molecular Physics
Title
Journal
Year
Citations
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
Molecular Physics
1970
18.2K
A molecular dynamics method for simulations in the canonical ensemble
Molecular Physics
1984
6.7K
Self-consistent perturbation theory of diamagnetism
Molecular Physics
1974
3.6K
Ab initio energy-adjusted pseudopotentials for elements of groups 13–17
Molecular Physics
1993
2.3K
Constant pressure molecular dynamics for molecular systems
Molecular Physics
1983
2.1K
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Molecular Physics
2015
2.1K
Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules
Molecular Physics
1969
2.1K
The energy gap law for radiationless transitions in large molecules
Molecular Physics
1970
1.9K
Accuracy of AH n equilibrium geometries by single determinant molecular orbital theory
Molecular Physics
1974
1.8K
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble
Molecular Physics
1987
1.7K
Algorithms for macromolecular dynamics and constraint dynamics
Molecular Physics
1977
1.5K
Elucidation of cross relaxation in liquids by two-dimensional N.M.R. spectroscopy
Molecular Physics
1980
1.4K
Left-right correlation energy
Molecular Physics
2001
1.3K
Explicit reversible integrators for extended systems dynamics
Molecular Physics
1996
1.3K
Perturbation theory of the non-linear optical polarization of an isolated system
Molecular Physics
1971
1.2K
The Lennard-Jones equation of state revisited
Molecular Physics
1993
1.1K
Phase equilibria of associating fluids
Molecular Physics
1988
1K
An analytic structure factor for macroion solutions
Molecular Physics
1981
987
Phase equilibria by simulation in the Gibbs ensemble
Molecular Physics
1988
976
Simplification of the molecular vibration-rotation hamiltonian
Molecular Physics
1968
966
The symmetry groups of non-rigid molecules
Molecular Physics
1963
950
Configurational bias Monte Carlo: a new sampling scheme for flexible chains
Molecular Physics
1992
912
Multiple absorption of laser photons by atoms
Journal of Physics B: Atomic and Molecular Physics
1973
906
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
Molecular Physics
2017
891
Hoover NPT dynamics for systems varying in shape and size
Molecular Physics
1993
871
site/software ©
exaly
; All materials licenced under
CC by-SA
.