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Journal of Molecular Modeling|May 3, 2014
Adsorption of 2,3,7,8-tetrochlorodibenzo-p-dioxins on intrinsic, defected, and Ti (N, Ag) doped graphene: a DFT studyHongping Zhang, Weidong He, Xuegang Luo, et al.Journal of Molecular Modeling|February 26, 2014
Theoretical study of the solvent effect on the aromaticity of benzene: a NICS analysisGeorgia M A Junqueira, Hélio F Dos SantosJournal of Molecular Modeling|February 26, 2014
Scytonin, a novel cyanobacterial photoprotective pigment: calculations of Raman spectroscopic biosignaturesTereza Varnali, Howell G M EdwardsJournal of Molecular Modeling|March 6, 2014
Stimulation of N--glycoside transfer in deoxythymidine glycol: mechanism of the initial step in base excision repairZe-qin Chen, Xiao-qiang Liu, Ying XueJournal of Molecular Modeling|March 6, 2014
Rational design of organoboron derivatives as chemosensors for fluoride and cyanide anions and charge transport and luminescent materials for organic light-emitting diodesRuifa Jin, Shanshan Tang, Dongmei LuoJournal of Molecular Modeling|March 18, 2008
Theoretical study of the novel sandwich compound [Au3Cl3Tr 2]2+Jesús Muñiz, Luis Enrique Sansores, Ana Martínez, et al.Journal of Molecular Modeling|March 12, 2008
Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylatesBorys Szefczyk, Tadeusz Andruniów, W Andrzej SokalskiJournal of Molecular Modeling|February 7, 2008
The theoretical investigation of one of the derivatives of 1, 2-dithienylcyclopentene as a molecular switchMohammad Ali Safarpour, Seyed Majid Hashemianzadeh, Azam KasaeianJournal of Molecular Modeling|February 25, 2014
An all-atom force field developed for Zn₄O(RCO₂)₆ metal organic frameworksYingxin Sun, Huai SunJournal of Molecular Modeling|February 25, 2014
Virtual screening of potential inhibitors from TCM for the CPSF30 binding site on the NS1A protein of influenza A virusHaixin Ai, Li Zhang, Alan K Chang, et al.Pageof 695