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Journal of Molecular Modeling|October 1, 2015
First-principles study of terpyrrole as a potential hydrogen cyanide sensor: DFT calculationsAli Shokuhi Rad, Mohammad Reza Zardoost, Ehsan AbediniJournal of Molecular Modeling|December 24, 2015
Theoretical study of the mechanism of the N-heterocyclic carbene-catalyzed cyclotetramerization of acrylatesDehui Chang, Qiaoqiao Yang, Meng Li, et al.Journal of Molecular Modeling|October 17, 2015
A comparative interplay between small heterorings and hypofluorous acidsBoaz G OliveiraJournal of Molecular Modeling|March 12, 2015
The N2O activation by Rh5 clusters. A quantum chemistry studyOscar Olvera-Neria, Roberto Avilés, Héctor Francisco-Rodríguez, et al.Journal of Molecular Modeling|March 20, 2016
Density functional study of H2O molecule adsorption on α-U(001) surfaceShanqisong Huang, Xiu-Lin Zeng, Feng-Qi Zhao, et al.Journal of Molecular Modeling|August 31, 2016
Investigation of the mechanisms of photo-induced formation of cyclobutane dimers of cytosine and 2,4-diaminopyrimidinePavlina B Kancheva, Vassil B DelchevJournal of Molecular Modeling|December 18, 2016
Simulation of NMR chemical shifts in heterocycles: a method evaluationAlexander Buß, Rainer KochJournal of Molecular Modeling|December 31, 2016
Interactions of calcium with the external surfaces of fullerenes and endofullerenes doped with radioactive sodium iodideAlejandro Valderrama, Radamés Reynoso, Raúl W Gómez, et al.Journal of Molecular Modeling|December 20, 2017
Reactivity of silagermenylidene toward nitrous oxide: a preliminary DFT studyCem Burak YildizJournal of Molecular Modeling|May 24, 2018
Simulating the unimolecular decomposition pathways of cyclotrimethylnitramine (RDX) : Decomposition pathways of RDXP Pahari, M Warrier, A D P RaoPageof 696