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Physical Chemistry Chemical Physics : PCCP|March 19, 2025
Efficient state-interaction approach for the <i>g</i>-matrix analysis in high-spin moleculesAntonio Cebreiro-Gallardo, David CasanovaJournal of Chemical Theory and Computation|June 18, 2025
State-Interaction Approach for <i>g</i>-Matrix Calculations in TDDFT: Ground-Excited State Couplings and beyond First-Order Spin-Orbit EffectsAntonio Cebreiro-Gallardo, David CasanovaJournal of Chemical Theory and Computation|November 15, 2024
Electron-Spin Relaxation in Boron-Doped Graphene NanoribbonsRoberto A Boto, Antonio Cebreiro-Gallardo, Rodrigo E Menchón, et al.The Journal of Physical Chemistry. A|September 29, 2023
State-Interaction Approach for Evaluating <i>g</i>-Tensors within EOM-CC and RAS-CI Frameworks: Theory and BenchmarksSven Kähler, Antonio Cebreiro-Gallardo, Pavel Pokhilko, et al.Journal of Chemical Theory and Computation|January 17, 2025
Magnetic Properties, Spin-Vibration Couplings, and Temperature Effects in Phenalenyl and TrianguleneAlicia Omist, Antonio Cebreiro-Gallardo, Matt Hugget, et al.Journal of Chemical Theory and Computation|November 19, 2015
Electronic Structure Study of Singlet Fission in Tetracene DerivativesDavid CasanovaThe Journal of Chemical Physics|April 2, 2018
Short-range density functional correlation within the restricted active space CI methodDavid CasanovaChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 1, 2011
The role of the π linker in donor-π-acceptor organic dyes for high-performance sensitized solar cellsDavid CasanovaJournal of Computational Chemistry|December 11, 2012
Efficient implementation of restricted active space configuration interaction with the hole and particle approximationDavid CasanovaPageof 16