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The Journal of Chemical Physics|November 17, 2016
Analytic one-electron properties at the 4-component relativistic coupled cluster level with inclusion of spin-orbit couplingAvijit Shee, Lucas Visscher, Trond SaueThe Journal of Chemical Physics|February 8, 2023
Characterization of excited states in time-dependent density functional theory using localized molecular orbitalsSouloke Sen, Bruno Senjean, Lucas VisscherJournal of Chemical Information and Modeling|November 29, 2024
Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry PerspectiveSeenivasan Hariharan, Sachin Kinge, Lucas VisscherScientific Data|March 11, 2026
qsGW quasiparticle and GW-BSE excitation energies of 133,885 moleculesDario Baum, Arno Förster, Lucas VisscherThe Journal of Chemical Physics|March 3, 2026
Calculation and analysis of exciton couplings via a subsystem formulation of the GW-Bethe-Salpeter equationSarathchandra Khandavilli, Arno Förster, Lucas VisscherChemical Science|March 4, 2026
Transfer learning of GW Bethe-Salpeter equation excitation energiesDario Baum, Arno Förster, Lucas VisscherChemistry (Weinheim an Der Bergstrasse, Germany)|April 14, 2011
Gold catalysis: 1,3-oxazines by cyclisation of allene amidesA Stephen K Hashmi, Andreas M Schuster, Sebastian Litters, et al.Journal of Computational Chemistry|May 30, 2006
A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ionIvan Infante, Bas van Stralen, Lucas VisscherThe Journal of Chemical Physics|December 29, 2010
General implementation of the relativistic coupled-cluster methodHuliyar S Nataraj, Mihály Kállay, Lucas VisscherJournal of Computational Chemistry|November 8, 2007
A flexible implementation of frozen-density embedding for use in multilevel simulationsChristoph R Jacob, Johannes Neugebauer, Lucas VisscherPageof 16