Showing results (1931-1940 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|March 10, 2011
Protein inherent structures by different minimization strategiesFrancesco RaoJournal of Computational Chemistry|March 10, 2011
Internucleotide J-couplings and chemical shifts of the N-H···N hydrogen-bonds in the radiation-damaged guanine-cytosine base pairsHuifang Li, Laibin Zhang, Li Han, et al.Journal of Computational Chemistry|March 10, 2011
Mechanism of methylacetylene bisselenation catalyzed by palladium complex from density functional studyMeiyan Wang, Lin Cheng, Jinping Wang, et al.Journal of Computational Chemistry|March 10, 2011
Spin-driven activation of dioxygen in various metalloenzymes and their inspired modelsAurelien de la Lande, Dennis R Salahub, Jacques Maddaluno, et al.Journal of Computational Chemistry|March 23, 2011
On easy implementation of a variant of the replica exchange with solute tempering in GROMACSTsuyoshi Terakawa, Tomoshi Kameda, Shoji TakadaJournal of Computational Chemistry|March 23, 2011
First-principles investigation of A-B intersite charge transfer and correlated electrical and magnetic properties in BiCu3Fe4O12Hongping Li, Shuhui Lv, Xiaojuan Liu, et al.Journal of Computational Chemistry|March 23, 2011
A theoretical investigation on optimal structures of ethane clusters (C2H6)n with n ≤ 25 and their building-up principleHiroshi TakeuchiJournal of Computational Chemistry|March 23, 2011
Reexamination of the π-bond strengths within H2C=XHn systems: a theoretical studyJun-Xian Chen, Chang Kon Kim, Hai Whang Lee, et al.Journal of Computational Chemistry|March 23, 2011
PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprintsChun Wei YapJournal of Computational Chemistry|March 23, 2011
IBIsCO: a molecular dynamics simulation package for coarse-grained simulationHossein Ali Karimi-Varzaneh, Hu-Jun Qian, Xiaoyu Chen, et al.Pageof 598