Hiroyuki Ito, Hiroshi Nakatsuji Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: bacteriopheophytin to ubiquinone. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:265-272 [Journal]
René de Gelder, Ron Wehrens, Jos A. Hageman A generalized expression for the similarity of spectra: application to powder diffraction pattern classification. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:273-289 [Journal]
Siegfried Höfinger, Thomas Simonson Dielectric relaxation in proteins: a continuum electrostatics model incorporating dielectric heterogeneity of the protein and time-dependent charges. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:290-305 [Journal]
Padeleimon Karafiloglou A method to calculate the weights of nbo electronic structures from Moffitt's theorem. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:306-315 [Journal]
Satoshi Okumoto, Shinichi Yamabe A computational study of base-catalyzed reactions between isocyanates and epoxides affording 2-oxazolidones and isocyanurates. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:316-326 [Journal]
Yong Zhang, Xiao-Zeng You Charge redistribution effect on the properties of charge transfer complexes HnRXY and HnRX2 (X, Y = F, Cl, Br, I; R = O, S, N, P). [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:327-338 [Journal]
Marcos R. Betancourt, Jeffrey Skolnick Finding the needle in a haystack: educing native folds from ambiguous ab initio protein structure predictions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:339-353 [Journal]
Andrzej J. Gorczko Multiisotopic modeling of fragmentation ion patterns in mass spectra of organometallic and coordination compounds. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:3, pp:354-365 [Journal]