Jörg-Rüdiger Hill, Johann Plank Retardation of setting of plaster of Paris by organic acids: Understanding the mechanism through molecular modeling. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1438-1448 [Journal]

Hui Li, Jan H. Jensen Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1449-1462 [Journal]

Stefan Grimme Accurate description of van der Waals complexes by density functional theory including empirical corrections. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1463-1473 [Journal]

Tim N. Heinz, Philippe H. Hünenberger A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1474-1486 [Journal]

Daiqian Xie, Jun Zeng Hydrogen bonding and solvatochromatic shift of the lowest 1(n, *) excitation of s-tetrazine in its hydrated clusters and dilute solutions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1487-1495 [Journal]

Leslaw K. Bieniasz A fourth-order accurate, Numerov-type, three-point finite-difference discretization of electrochemical reaction-diffusion equations on nonuniform (exponentially expanding) spatial grids in one-dimensional space geometry. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1515-1521 [Journal]

Ilona Hudáky, Péter Hudáky, András Perczel Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1522-1531 [Journal]

Christian Silvio Pomelli A tessellationless integration grid for the polarizable continuum model reaction field. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:12, pp:1532-1541 [Journal]