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Journal of Molecular Modeling|September 18, 2014
Oxygen reduction reaction on Cu-doped Ag cluster for fuel-cell cathodeWenqiang Ma, Fuyi Chen, Nan Zhang, et al.Journal of Molecular Modeling|September 22, 2014
Bonding analysis of telluroketones H₂A = Te (A = C, Si, Ge)Naziah B Jaufeerally, Ponnadurai Ramasami, Paul Jerabek, et al.Journal of Molecular Modeling|September 22, 2014
Theoretical study on the tautomerization of 1,5-diaminotetrazole (DAT)Piao He, Jian-Guo Zhang, Li-Na Feng, et al.Journal of Molecular Modeling|August 10, 2014
Silver- and gold-mediated nucleobase bondingPaulo H Acioli, Sudha SrinivasJournal of Molecular Modeling|August 10, 2014
Charge localization and charge transfer in the Bebq2 monomer and dimerAndrei A Safonov, Alexander A BagaturyantsJournal of Molecular Modeling|July 31, 2014
Insight into HIV-1 reverse transcriptase-aptamer interaction from molecular dynamics simulationsNiran Aeksiri, Napat Songtawee, M Paul Gleeson, et al.Journal of Molecular Modeling|August 2, 2014
Probing the structural and electronic properties of bimetallic chromium-gold clusters CrmAun(m+n≤6): comparison with pure chromium and gold clustersPeng Lu, Guang-Hua Liu, Xiao-Yu KuangJournal of Molecular Modeling|October 26, 2013
Electronic, ductile, phase transition and mechanical properties of Lu-monopnictides under high pressuresDinesh C Gupta, Idris Hamid BhatJournal of Molecular Modeling|July 16, 2014
A study of the interaction between HIV-1 protease and C 2-symmetric inhibitors by computational methodsShuhua Shi, Guodong Hu, Xiumei Zhang, et al.Journal of Molecular Modeling|July 20, 2014
Is 1-nitro-1-triazene a high energy density material?Weijie Chi, Ting Yan, Butong LiPageof 699