Showing results (61-70 of 87) with videos related to
Sort By:
Pageof 9
The Journal of Organic Chemistry|September 17, 2015
(1,2-Diaminoethane-1,2-diyl)bis(N-methylpyridinium) Salts as a Prospective Platform for Designing Recyclable Prolinamide-Based OrganocatalystsVladislav G Lisnyak, Alexander S Kucherenko, Edward F Valeev, et al.Journal of Computational Chemistry|August 28, 2007
Components for integral evaluation in quantum chemistryJoseph P Kenny, Curtis L Janssen, Edward F Valeev, et al.Chemical Reviews|December 11, 2020
Many-Body Quantum Chemistry on Massively Parallel ComputersJustus A Calvin, Chong Peng, Varun Rishi, et al.Journal of Chemical Theory and Computation|August 3, 2018
Optimized Pair Natural Orbitals for the Coupled Cluster MethodsMarjory C Clement, Jinmei Zhang, Cannada A Lewis, et al.Journal of Chemical Theory and Computation|November 28, 2015
Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing UnitsAndrey Asadchev, Veerendra Allada, Jacob Felder, et al.The Journal of Chemical Physics|October 27, 2016
Monte Carlo explicitly correlated second-order many-body perturbation theoryCole M Johnson, Alexander E Doran, Jinmei Zhang, et al.The Journal of Chemical Physics|April 1, 2023
SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbitalYang Guo, Fabijan Pavošević, Kantharuban Sivalingam, et al.Journal of Chemical Theory and Computation|November 3, 2023
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large MoleculesYuqi Wang, Yang Guo, Frank Neese, et al.Journal of the American Chemical Society|July 27, 2006
Effect of electronic polarization on charge-transport parameters in molecular organic semiconductorsEdward F Valeev, Veaceslav Coropceanu, Demetrio A da Silva Filho, et al.Physical Chemistry Chemical Physics : PCCP|February 8, 2024
Economical quasi-Newton unitary optimization of electronic orbitalsSamuel A Slattery, Kshitijkumar A Surjuse, Charles C Peterson, et al.Pageof 9