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The Journal of Chemical Physics|April 25, 2008
A subsystem density-functional theory approach for the quantum chemical treatment of proteinsChristoph R Jacob, Lucas VisscherThe Journal of Chemical Physics|September 5, 2024
Restricted open-shell time-dependent density functional theory with perturbative spin-orbit couplingChima S Chibueze, Lucas VisscherThe Journal of Chemical Physics|September 4, 2025
Spin-adapted spin-flip-down time-dependent density functional theoryChima S Chibueze, Lucas VisscherThe Journal of Chemical Physics|November 30, 2006
Calculation of nuclear magnetic resonance shieldings using frozen-density embeddingChristoph R Jacob, Lucas VisscherThe Journal of Chemical Physics|January 8, 2026
Restricted open-shell time-dependent density functional theory with perturbative spin-orbit coupling: Inclusion of spin-flip-down statesChima S Chibueze, Lucas VisscherPhysical Review Letters|September 10, 2016
Core Ionization Initiates Subfemtosecond Charge Migration in the Valence Shell of MoleculesAlexander I Kuleff, Nikolai V Kryzhevoi, Markus Pernpointner, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 12, 2013
A theoretical DFT-based and experimental study of the transmetalation step in Au/Pd-mediated cross-coupling reactionsMax M Hansmann, Markus Pernpointner, René Döpp, et al.The Journal of Chemical Physics|September 15, 2014
Plasmons in molecules: microscopic characterization based on orbital transitions and momentum conservationCaroline M Krauter, Jochen Schirmer, Christoph R Jacob, et al.The Journal of Physical Chemistry Letters|January 16, 2026
Predicting Complete Basis Set Limit Quasiparticle Energies from Triple-ζ CalculationsDario Baum, Lucas Visscher, Arno FörsterThe Journal of Chemical Physics|April 17, 2020
Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis setsSusi Lehtola, Lucas Visscher, Eberhard EngelPageof 16