Andrean Goede, Robert Preissner, Cornelius Frömmel Voronoi cell: New method for allocation of space among atoms: Elimination of avoidable errors in calculation of atomic volume and density. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:9, pp:1113-1123 [Journal]

Leticia González, Otilia Mó, Manuel Yaáñez High-level ab initio versus DFT calculations on (H2O2)2 and H2O2-H2O complexes as prototypes of multiple hydrogen bond systems. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:9, pp:1124-1135 [Journal]

Pavel Hobza, Martin Kabelác, Jirí Sponer, Petr Mejzlík, Jiri Vondrásek Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree-Fock res [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:9, pp:1136-1150 [Journal]

Todd J. A. Ewing, Irwin D. Kuntz Critical evaluation of search algorithms for automated molecular docking and database screening. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:9, pp:1175-1189 [Journal]

Sanja Sekusak, Aleksandar Sabljic Reactivity of haloethanes with hydroxyl radicals: Effects of basis set and correlation energy on reaction energetics. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:9, pp:1190-1199 [Journal]

John Arthur Niesse, Howard R. Mayne Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:9, pp:1233-1244 [Journal]