Showing results (81-90 of 160) with videos related to

Sort By:
Pageof 16
Journal of Chemical Theory and Computation|December 1, 2015
Toward a Practical Method for Adaptive QM/MM SimulationsRosa E Bulo, Bernd Ensing, Jetze Sikkema, et al.
The Journal of Chemical Physics|May 16, 2016
Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited statesRobert Rüger, Erik van Lenthe, Thomas Heine, et al.
Journal of Chemical Theory and Computation|August 18, 2023
Two-Component GW Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent GW VariantsArno Förster, Erik van Lenthe, Edoardo Spadetto, et al.
The Journal of Chemical Physics|December 7, 2007
Nuclear quadrupole moment of 139La from relativistic electronic structure calculations of the electric field gradients in LaF, LaCl, LaBr, and LaIChristoph R Jacob, Lucas Visscher, Christian Thierfelder, et al.
Journal of Chemical Theory and Computation|September 18, 2025
Periodic Implementation of the Random Phase Approximation with Numerical Atomic Orbitals and Dual Reciprocal Space GridsEdoardo Spadetto, Pier Herman Theodoor Philipsen, Arno Förster, et al.
The Journal of Physical Chemistry. A|October 15, 2020
Not Completely Innocent: How Argon Binding Perturbs Cationic Copper ClustersZahra Jamshidi, Olga V Lushchikova, Joost M Bakker, et al.
The Journal of Chemical Physics|January 5, 2017
Theoretical study of actinide monocarbides (ThC, UC, PuC, and AmC)Peter Pogány, Attila Kovács, Lucas Visscher, et al.
Journal of Chemical Theory and Computation|February 14, 2023
Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark AccuracyEdoardo Spadetto, Pier Herman Theodoor Philipsen, Arno Förster, et al.
The Journal of Chemical Physics|February 4, 2025
Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitalsMauricio Rodríguez-Mayorga, Pierre-François Loos, Fabien Bruneval, et al.
The Journal of Chemical Physics|August 3, 2014
Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexesPaweł Tecmer, André Severo Pereira Gomes, Stefan Knecht, et al.
Pageof 16