Showing results (1131-1140 of 11,386) with videos related to
Sort By:
Pageof 1,139
Journal of Chemical Theory and Computation|November 24, 2015
Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl RingsYirong Mo, Lingchun Song, Yuchun Lin, et al.Journal of Chemical Theory and Computation|November 24, 2015
The Quest for Metal-Metal Quadruple and Quintuple Bonds in Metal Carbonyl Derivatives: Nb2(CO)9 and Nb2(CO)8Lihong Tang, Qiong Luo, Qian-Shu Li, et al.Journal of Chemical Theory and Computation|November 24, 2015
Range-Separated Exchange Functionals with Slater-Type FunctionsMichael Seth, Tom ZieglerJournal of Chemical Theory and Computation|November 24, 2015
Membrane Protein Simulations Using AMBER Force Field and Berger Lipid ParametersArnau Cordomí, Gianluigi Caltabiano, Leonardo PardoJournal of Chemical Theory and Computation|November 24, 2015
General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark StudiesJulien Bloino, Malgorzata Biczysko, Vincenzo BaroneJournal of Chemical Theory and Computation|November 24, 2015
A New Kinetic Monte Carlo Algorithm for Heteroepitactical Growth: Case Study of C60 Growth on PentaceneRebecca A Cantrell, Paulette ClancyJournal of Chemical Theory and Computation|November 24, 2015
Designing Short Peptides with High Affinity for Organic Molecules: A Combined Docking, Molecular Dynamics, And Monte Carlo ApproachRolando P Hong Enriquez, Silvia Pavan, Fabio Benedetti, et al.Journal of Chemical Theory and Computation|November 24, 2015
SCC-DFTB Parametrization for Boron and BoranesBernhard Grundkötter-Stock, Viktor Bezugly, Jens Kunstmann, et al.Journal of Chemical Theory and Computation|November 24, 2015
DFVB: A Density-Functional-Based Valence Bond MethodFuming Ying, Peifeng Su, Zhenhua Chen, et al.Journal of Chemical Theory and Computation|November 24, 2015
An Efficient N(3)-Scaling Propagation Scheme for Simulating Two-Dimensional Infrared and Visible SpectraChungwen Liang, Thomas L C JansenPageof 1,139