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Journal of Computational Chemistry|December 23, 2006
Similarity of RNA secondary structuresChun Li, Ai-Hua Wang, Lili XingJournal of Computational Chemistry|January 31, 2006
Theoretical study on structures and stabilities of [H,Ge,C,N]Qiang Wang, Yi-Hong Ding, Hong-Bin Xie, et al.Journal of Computational Chemistry|April 6, 2006
Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: ab initio fragment molecular orbital studyKaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, et al.Journal of Computational Chemistry|March 7, 2007
DFT and ab initio calculations on two reactions between hydrogen atoms and the fire suppressants 2-H heptafluoropropane and CF3BrEdmond P F Lee, John M Dyke, Wan-Ki Chow, et al.Journal of Computational Chemistry|April 24, 2007
A computational investigation on the sequential rearrangement mechanism of 2-allyl-2,4,5-hexatrienaldehyde involving [1,5]-hydrogen migration and 8pi-electrocyclizationYuanqiang Zhu, Yong Guo, Lidong Zhang, et al.Journal of Computational Chemistry|October 30, 2007
Photochemistry studied with ab initio orbital-correlation and state-correlation plots: Classic cyclobutene ring opening, and the reaction of N2 with photoexcited O2Huancong Shi, David C Roettger, Allan L L EastJournal of Computational Chemistry|August 28, 2007
Excitation and circular dichroism spectra of (-)-(3aS, 7aS)-2-chalcogena-trans-hydrindans(Ch = S, Se, Te): SAC and SAC-CI calculationsYasushi Honda, Atsushi Kurihara, Masahiko Hada, et al.Journal of Computational Chemistry|March 21, 2008
Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbonsK Periya Vijayalakshmi, Cherumuttathu H SureshJournal of Computational Chemistry|January 24, 2009
Theoretical study on the gas-phase reaction mechanism between nickel monoxide and methane for syngas productionHua-Qing Yang, Song Qin, Song Qin, et al.Journal of Computational Chemistry|September 10, 2008
Theoretical studies of the reactions of CF3CHCLOCHF2/CF3CHFOCHF2 with OH radical and Cl atom and their product radicals with OHLei Yang, Jing-Yao Liu, Su-Qin Wan, et al.Pageof 598