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The Journal of Chemical Physics

Homepage: jcp.aip.org
ISSNs: 0021-9606, 1089-7690, 1520-9032
Source type: journal
Alternate names: JCP on CD-ROM, Chemical physics, J. Chem. Phys.; (United States)
Fully OA: No
DOAJ: No
Article Processing Charge: $3,500
OpenAlex ID: S77047749
Density-functional thermochemistry. III. The role of exact exchange
1993 · Axel D. Becke · The Journal of Chemical Physics · 103,540
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 · Stefan Grimme, Jens Antony, et al. · The Journal of Chemical Physics · 59,245
Comparison of simple potential functions for simulating liquid water
1983 · William L. Jorgensen, Jayaraman Chandrasekhar, et al. · The Journal of Chemical Physics · 41,309
Equation of State Calculations by Fast Computing Machines
1953 · Nicholas Metropolis, Arianna W. Rosenbluth, et al. · The Journal of Chemical Physics · 37,126
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
1989 · Thom H. Dunning · The Journal of Chemical Physics · 31,657
Molecular dynamics with coupling to an external bath
1984 · H. J. C. Berendsen, J. P. M. Postma, et al. · The Journal of Chemical Physics · 30,704
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
1993 · Tom Darden, Darrin York, et al. · The Journal of Chemical Physics · 30,553
A smooth particle mesh Ewald method
1995 · Ulrich Essmann, Lalith Perera, et al. · The Journal of Chemical Physics · 22,520
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
2000 · Graeme Henkelman, Blas P. Uberuaga, et al. · The Journal of Chemical Physics · 21,621
Hybrid functionals based on a screened Coulomb potential
2003 · Jochen Heyd, Gustavo E. Scuseria, et al. · The Journal of Chemical Physics · 19,537
A unified formulation of the constant temperature molecular dynamics methods
1984 · Shuichi Nosé · The Journal of Chemical Physics · 19,160
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Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 · Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 19,053
Canonical sampling through velocity rescaling
2007 · Giovanni Bussi, Davide Donadio, et al. · The Journal of Chemical Physics · 18,096
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Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
1980 · R. Krishnan, J. S. Binkley, et al. · The Journal of Chemical Physics · 17,712
A new mixing of Hartree–Fock and local density-functional theories
1993 · Axel D. Becke · The Journal of Chemical Physics · 16,491
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
1972 · W. J. Hehre, R. Ditchfield, et al. · The Journal of Chemical Physics · 15,860
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
1985 · P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 15,580
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
1992 · Rick A. Kendall, Thom H. Dunning, et al. · The Journal of Chemical Physics · 15,500
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
1985 · P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 13,826
Kinetics of Phase Change. I General Theory
1939 · Melvin Avrami · The Journal of Chemical Physics · 11,400
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
1955 · R. S. Mulliken · The Journal of Chemical Physics · 11,049
From molecules to solids with the DMol3 approach
2000 · B. Delley · The Journal of Chemical Physics · 11,027
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Raman Spectrum of Graphite
1970 · F. Tuinstra, J. L. Koenig · The Journal of Chemical Physics · 10,716
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
1971 · R. Ditchfield, W. J. Hehre, et al. · The Journal of Chemical Physics · 10,598
An all-electron numerical method for solving the local density functional for polyatomic molecules
1990 · B. Delley · The Journal of Chemical Physics · 10,537
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Works count: 152,000
Citation count: 7,897,000
H-index: 710
I10-index: 111,100
2yr mean citedness: 4.456
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