Journals in DBLP

Journal of Computational Chemistry
2003, volume: 24, number: 9

1. Christopher C. Lovallo, Mariusz Klobukowski
   Development of new pseudopotential methods: Improved model core potentials for the first-row transition metals. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1009-1015 [Journal]
   
2. Kristin L. Meagher, Luke T. Redman, Heather A. Carlson
   Development of polyphosphate parameters for use with the AMBER force field. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1016-1025 [Journal]
   
3. András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia
   Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1026-1042 [Journal]
   
4. Jos A. Hageman, Ron Wehrens, René de Gelder, Lutgarde M. C. Buydens
   Powder pattern indexing using the weighted crosscorrelation and genetic algorithms. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1043-1051 [Journal]
   
5. David C. Chatfield, Alberto Augsten, Cassian D'Cunha, Sergio E. Wong
   Methyl dynamics in crystalline amino acids: MD and NMR. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1052-1058 [Journal]
   
6. Shenghua Shi, Lisa Yan, Yang Yang, Jodi Fisher-Shaulsky, Tom Thacher
   An extensible and systematic force field, ESFF, for molecular modeling of organic, inorganic, and organometallic systems. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1059-1076 [Journal]
   
7. Toshimasa Ishida, George C. Schatz
   A local interpolation scheme using no derivatives in potential sampling: Application to O(1D) + H2 system. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1077-1086 [Journal]
   
8. Alice Glättli, Xavier Daura, Wilfred F. van Gunsteren
   A novel approach for designing simple point charge models for liquid water with three interaction sites. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1087-1096 [Journal]
   
9. Lionello Pogliani
   Complete graph conjecture for inner-core electrons: Homogeneous index case. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:9, pp:1097-1109 [Journal]
   
10. Suzanne W. Sirois, Emil I. Proynov, Jean-François Truchon, C. M. Tsoukas, Dennis R. Salahub
    A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleft. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:9, pp:1110-1119 [Journal]
    
11. Roger A. Klein
    Hydrogen bonding in diols and binary diol-water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A reevalu [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:9, pp:1120-1131 [Journal]
    
12. Nikolay A. Anikin, Vladislav L. Bugaenko, M. V. Frash, Leonid Gorb, Jerzy Leszczynski
    Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis set. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:9, pp:1132-1141 [Journal]
    
13. Erik Van Lenthe, Evert Jan Baerends
    Optimized Slater-type basis sets for the elements 1-118. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:9, pp:1142-1156 [Journal]