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The Journal of Chemical Physics|April 5, 2011
NMR shielding tensors from auxiliary density functional theoryBernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M KösterThe Journal of Chemical Physics|September 11, 2012
Magnetizability tensors from auxiliary density functional theoryBernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M KösterThe Journal of Chemical Physics|July 9, 2021
Cubic aromaticity in ligand-stabilized doped Au superatomsOmar López-Estrada, Elli Selenius, Bernardo Zuniga-Gutierrez, et al.Nature Communications|May 1, 2021
Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatomsOmar López-Estrada, Bernardo Zuniga-Gutierrez, Elli Selenius, et al.The Journal of Chemical Physics|March 26, 2009
A MinMax self-consistent-field approach for auxiliary density functional theoryAndreas M Köster, Jorge M Del Campo, Florian Janetzko, et al.The Journal of Chemical Physics|February 9, 2007
Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systemsPatrizia Calaminici, Florian Janetzko, Andreas M Köster, et al.The Journal of Chemical Physics|January 10, 2020
Calculation of the EPR g-tensor from auxiliary density functional theoryBernardo Zuniga-Gutierrez, Victor Medel-Juarez, Andres Varona, et al.Journal of Chemical Theory and Computation|March 30, 2026
Nuclear Spin-Spin Coupling Constants from Auxiliary Density Functional TheoryBernardo Zuniga-Gutierrez, Luis G Cota, Jesús N Pedroza-Montero, et al.The Journal of Chemical Physics|September 17, 2015
Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theoryBernardo Zuniga-Gutierrez, Monica Camacho-Gonzalez, Alfonso Bendana-Castillo, et al.The Journal of Physical Chemistry. A|June 27, 2014
Efficient calculation of the rotational g tensor from auxiliary density functional theoryBernardo Zuniga-Gutierrez, Monica Camacho-Gonzalez, Patricia Simon-Bastida, et al.Pageof 2