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Journal of Computational Chemistry|August 19, 2006
Photochemistry of CH3Mn(CO)5: a multiconfigurational ab initio studyLeticia González, Chantal DanielJournal of Computational Chemistry|January 18, 2007
Theoretical study of the electronic spectra of oxidized and reduced states of lumiflavin and its derivativeYoong-Kee Choe, Shigeru Nagase, Kichisuke NishimotoJournal of Computational Chemistry|August 22, 2007
Revised model core potentials of s-block elementsHidenori Anjima, Shinya Tsukamoto, Hirotoshi Mori, et al.Journal of Computational Chemistry|June 15, 2007
Hartree-Fock exchange fitting basis sets for H to RnFlorian WeigendJournal of Computational Chemistry|May 20, 2008
The possibility of the decomposition of 2'-deoxyribose moiety of thymidine induced by the low energy electron attachmentGuoming Liang, Xiaoguang Bao, Jiande GuJournal of Computational Chemistry|April 25, 2008
Effects of electron attachment on C5'-O5' and C1'-N1 bond cleavages of pyrimidine nucleotides: A theoretical studyHujun Xie, Ruibo Wu, Fei Xia, et al.Journal of Computational Chemistry|May 14, 2008
Photoionization cross sections of H2(+) and H2 with complex Gaussian-type basis functions optimized for the frequency-dependent polarizabilitiesMasato Morita, Satoshi YabushitaJournal of Computational Chemistry|May 13, 2008
Spin-orbit Ab initio investigation of the photodissociation of dibromomethane in the gas and solution phasesYajun Liu, Hongyan Xiao, Mengtao Sun, et al.Journal of Computational Chemistry|September 12, 2008
Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test casesVincenzo Barone, Maurizio Casarin, Daniel Forrer, et al.Journal of Computational Chemistry|October 1, 2008
Stability of carbon-centered radicals: effect of functional groups on the energetics of addition of molecular oxygenJames S Wright, Hooman Shadnia, Leonid L ChepelevPageof 593