Showing results (281-290 of 11,259) with videos related to
Sort By:
Pageof 1,126
Journal of Chemical Theory and Computation|December 4, 2015
Mechanism of Ultrafast Photodecay in Restricted Motions in Protonated Schiff Bases: The Pentadieniminium CationJaroslaw J Szymczak, Mario Barbatti, Hans LischkaJournal of Chemical Theory and Computation|December 4, 2015
A Combined QM/MM Poisson-Boltzmann ApproachSeth A Hayik, Ning Liao, Kenneth M MerzJournal of Chemical Theory and Computation|December 4, 2015
Multireference Model Chemistries for Thermochemical KineticsOksana Tishchenko, Jingjing Zheng, Donald G TruhlarJournal of Chemical Theory and Computation|December 4, 2015
Photoisomerization Reactions of Cyclopropene and 1,3,3-Trimethylcyclopropene: A Theoretical StudyMing-Der SuJournal of Chemical Theory and Computation|December 4, 2015
A Hamiltonian Replica Exchange Approach and Its Application to the Study of Side-Chain Type and Neighbor Effects on Peptide Backbone ConformationsChao Xu, Jun Wang, Haiyan LiuJournal of Chemical Theory and Computation|December 4, 2015
Automated Event Detection and Activity Monitoring in Long Molecular Dynamics SimulationsWilly Wriggers, Kate A Stafford, Yibing Shan, et al.Journal of Chemical Theory and Computation|December 4, 2015
Combined Jahn-Teller and Pseudo-Jahn-Teller Effect in the CO3 Molecule: A Seven-State Six-Mode ProblemYang Liu, Isaac B Bersuker, Wenli Zou, et al.Journal of Chemical Theory and Computation|December 4, 2015
Fully Relativistic, Comparative Investigation of Gold and Platinum Alkyne Complexes of Relevance for the Catalysis of Nucleophilic Additions to AlkynesMarkus Pernpointner, A Stephen K HashmiJournal of Chemical Theory and Computation|December 4, 2015
Performance of DFT Methods in the Calculation of Optical Spectra of TCF-ChromophoresJan Andzelm, Berend C Rinderspacher, Adam Rawlett, et al.Journal of Chemical Theory and Computation|December 4, 2015
Adsorption and Diffusion of Alkanes in Na-MOR: Modeling the Effect of the Aluminum DistributionShuai Ban, Thijs J H VlugtPageof 1,126