The Journal of Chemical Physics

Titel Veröffentlichungsdatum Sprache Zitate
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations2002/02/22English1,609
A long-range-corrected time-dependent density functional theory2004/05/08English1,603
Total Cross Sections for Ionization and Attachment in Gases by Electron Impact. I. Positive Ionization1965/09/01English1,595
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction1994/05/15English1,585
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew2004/05/22English1,577
Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O1971/08/01English1,564
Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals1997/11/22English1,564
Rate of Nucleation in Condensed Systems1949/01/01English1,563
A simple and efficient CCSD(T)-F12 approximation2007/12/14English1,559
Nature of the Glass Transition and the Glassy State1958/03/01English1,557
Simplified CCSD(T)-F12 methods: Theory and benchmarks2009/02/02English1,549
Studies in Molecular Dynamics. I. General Method1959/08/01English1,548
Gaussian-3 theory using density functional geometries and zero-point energies1999/04/22English1,542
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional2005/10/28English1,523
Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies2003/05/22English1,522
The Statistical Thermodynamics of Multicomponent Systems1945/07/01English1,518
Phase Transition for a Hard Sphere System1957/11/01English1,507
Critical point wetting1977/04/15English1,498
Viscous Liquids and the Glass Transition. II. Secondary Relaxations in Glasses of Rigid Molecules1970/09/15English1,495
The Dielectric Polarization of Polar Liquids1939/10/01English1,486
A novel discrete variable representation for quantum mechanical reactive scattering via the S-matrix Kohn method1992/02/01English1,478
From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems2002/09/22English1,471
Electromagnetic fields around silver nanoparticles and dimers2004/01/01English1,466
Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction1992/12/15English1,463
An efficient reformulation of the closed-shell coupled cluster single and double excitation (CCSD) equations1988/12/15English1,458
Generalized discrete variable approximation in quantum mechanics1985/02/01English1,447
Dielectric Relaxation in Glycerol, Propylene Glycol, and n-Propanol1951/12/01English1,445
Assessment of a long-range corrected hybrid functional2006/12/21English1,445
A Viscosity Equation for Gas Mixtures1950/04/01English1,444
Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide1994/05/15English1,440