Showing results (101-110 of 5,925) with videos related to
Sort By:
Pageof 593
Journal of Computational Chemistry|May 22, 2012
Multi-zinc-expanded graphene patches: tetraradical versus diradical characterHongfang Yang, Qisheng Song, Xinyu Song, et al.Journal of Computational Chemistry|April 21, 2012
Comparison of the FeO(2+) and FeS(2+) complexes in the cyanide and isocyanide ligand environment for methane hydroxylationHao Tang, Zhuo Li, Yu-Hong Yang, et al.Journal of Computational Chemistry|May 30, 2012
CORAL: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radicalA A Toropov, A P Toropova, B F Rasulev, et al.Journal of Computational Chemistry|May 30, 2012
Balancing target flexibility and target denaturation in computational fragment-based inhibitor discoveryTheresa J Foster, Alexander D MacKerell, Olgun GuvenchJournal of Computational Chemistry|May 1, 2012
Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependenceChristian Kramer, Peter Gedeck, Markus MeuwlyJournal of Computational Chemistry|April 28, 2012
The dynamics of the calcium-induced chain-chain association in the polyuronate systemsWojciech Plazinski, Mateusz DrachJournal of Computational Chemistry|March 20, 2016
Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor-acceptor conjugateJuan Pablo Martínez, Miquel Solà, Alexander A VoityukJournal of Computational Chemistry|March 25, 2016
SM-TF: A structural database of small molecule-transcription factor complexesXianjin Xu, Zhiwei Ma, Hongmin Sun, et al.Journal of Computational Chemistry|May 18, 2016
Interactions of the "piano-stool" [ruthenium(II)(η(6) -arene)(quinolone)Cl](+) complexes with water; DFT computational studyTereza Zábojníková, Radim Cajzl, Jakob Kljun, et al.Journal of Computational Chemistry|May 18, 2016
Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromoleculesMaria M Reif, Martin ZachariasPageof 593