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The Journal of Physical Chemistry. A|September 5, 2023
Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard-U CorrectionAngel Albavera-Mata, Richard G Hennig, S B TrickeyThe Journal of Physical Chemistry Letters|December 21, 2022
Mean Value Ensemble Hubbard-U Correction for Spin-Crossover MoleculesAngel Albavera-Mata, S B Trickey, Richard G HennigThe Journal of Physical Chemistry. A|December 6, 2024
Magnetic and Thermodynamic Computations for Supramolecular Assemblies between a Cr(III) and Fe(III) Single-Ion Magnet and an Fe(II) Spin-Crossover ComplexAngel Albavera-Mata, Shuanglong Liu, Hai-Ping Cheng, et al.Journal of Chemical Theory and Computation|April 1, 2025
Discovery of Spin-Crossover Materials with Equivariant Graph Neural Networks and Relevance-Based ClassificationAngel Albavera-Mata, Pawan Prakash, Jason B Gibson, et al.The Journal of Physical Chemistry. A|November 14, 2025
Thermodynamic Analysis of Spin Crossover in Molecules and Solid State Materials with pySCOAngel Albavera-MataPhysical Chemistry Chemical Physics : PCCP|May 19, 2025
Generalized quadratic model for charge transferAngel Albavera-Mata, José Luis Gázquez, Alberto VelaThe Journal of Chemical Physics|January 1, 2018
Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fieldsWuming Zhu, S B TrickeyThe Journal of Chemical Physics|September 13, 2006
Exact density functionals for two-electron systems in an external magnetic fieldWuming Zhu, S B TrickeyJournal of Physics. Condensed Matter : an Institute of Physics Journal|November 5, 2013
A grand canonical genetic algorithm for the prediction of multi-component phase diagrams and testing of empirical potentialsWilliam W Tipton, Richard G HennigThe Journal of Physical Chemistry. A|November 11, 2020
Spin-Crossover from a Well-Behaved, Low-Cost meta-GGA Density FunctionalDaniel Mejía-Rodríguez, S B TrickeyPageof 8