Martin Saunders Stochastic search for isomers on a quantum mechanical surface. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:621-626 [Journal]
John Cullen Performance of the Harris functional for extended basis sets at the Hartree-Fock and density functional levels. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:637-648 [Journal]
Siân T. Howard, Colin D. Abernethy Intramolecular CHCcarbene hydrogen bonds and competing interactions in monoprotonated tripodal carbenes. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:649-659 [Journal]
Ali Khalaf Al-Matar, David A. Rockstraw A generating equation for mixing rules and two new mixing rules for interatomic potential energy parameters. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:660-668 [Journal]
Fan Wang, Lemin Li Numerical examination of performance of some exchange-correlation functionals for molecules containing heavy elements. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:669-677 [Journal]
Michael Patra, Mikko Karttunen Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration, and structural properties. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:678-689 [Journal]
Piotr Zarzycki, Robert Charmas, Pawe Szabelski Study of proton adsorption at heterogeneous oxide/electrolyte interface. Prediction of the surface potential using Monte Carlo simulations and 1-pK approach. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:704-711 [Journal]
Kazuhiro Ishida Accurate and fast algorithm of the molecular incomplete gamma function with a complex argument. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:739-748 [Journal]
Harry A. Stern Simple algorithm for isothermal-isobaric molecular dynamics. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:749-761 [Journal]
M. K. Shukla, Jerzy Leszczynski TDDFT investigation on nucleic acid bases: Comparison with experiments and standard approach. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:5, pp:768-778 [Journal]
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