Showing results (4381-4390 of 5,978) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|March 29, 2017
Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculationsChong Yang, Andreas DreuwJournal of Computational Chemistry|October 7, 2016
Refractive indices of organo-metallic and -metalloid compounds: A long-range corrected DFT studyShintaro Maekawa, Krzysztof Moorthi, Yasuteru ShigetaJournal of Computational Chemistry|April 11, 2017
On reverse Monte Carlo constraints and model reproductionGeorge Opletal, Timothy C Petersen, Amanda S Barnard, et al.Journal of Computational Chemistry|April 15, 2017
Density functional theory study of mechanism of epoxy-carboxylic acid curing reactionUyen Q Ly, My-Phuong Pham, Maurice J Marks, et al.Journal of Computational Chemistry|May 18, 2017
Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2Borys Szefczyk, Dawid Grabarek, Elżbieta Walczak, et al.Journal of Computational Chemistry|May 13, 2018
Fluoride anion sensing mechanism of a BODIPY-linked hydrogen-bonding probeYang Li, Junsheng Chen, Tian-Shu ChuJournal of Computational Chemistry|December 15, 2018
Electronic and ligating properties of carbocyclic carbenes: A theoretical investigationShweta Bhagat, Minhajul Arfeen, Gourav Das, et al.Journal of Computational Chemistry|September 22, 2018
Methods for the Simulation of the Slowing of Low-Energy Electrons in WaterMarisa E Smith, N J B Green, S M PimblottJournal of Computational Chemistry|January 31, 2019
Analysis of the adaptive multilevel splitting method on the isomerization of alanine dipeptideLaura J S Lopes, Tony LelièvreJournal of Computational Chemistry|April 11, 2020
Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectraFrancesco S Gentile, Alexander Platonenko, Khaled E El-Kelany, et al.Pageof 598