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The Journal of Physical Chemistry. A
|
November 14, 2025
Thermodynamic Analysis of Spin Crossover in Molecules and Solid State Materials with pySCO
Angel Albavera-Mata
Physical Chemistry Chemical Physics : PCCP
|
May 19, 2025
Generalized quadratic model for charge transfer
Angel Albavera-Mata, José Luis Gázquez, Alberto Vela
The Journal of Physical Chemistry. A
|
September 5, 2023
Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard-<i>U</i> Correction
Angel Albavera-Mata, Richard G Hennig, S B Trickey
The Journal of Physical Chemistry Letters
|
December 21, 2022
Mean Value Ensemble Hubbard-<i>U</i> Correction for Spin-Crossover Molecules
Angel Albavera-Mata, S B Trickey, Richard G Hennig
The 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 Complex
Angel 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 Classification
Angel Albavera-Mata, Pawan Prakash, Jason B Gibson, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
November 14, 2025
Thermodynamic Analysis of Spin Crossover in Molecules and Solid State Materials with pySCO
Angel Albavera-Mata
Physical Chemistry Chemical Physics : PCCP
|
May 19, 2025
Generalized quadratic model for charge transfer
Angel Albavera-Mata, José Luis Gázquez, Alberto Vela
The Journal of Physical Chemistry. A
|
September 5, 2023
Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard-<i>U</i> Correction
Angel Albavera-Mata, Richard G Hennig, S B Trickey
The Journal of Physical Chemistry Letters
|
December 21, 2022
Mean Value Ensemble Hubbard-<i>U</i> Correction for Spin-Crossover Molecules
Angel Albavera-Mata, S B Trickey, Richard G Hennig
The 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 Complex
Angel 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 Classification
Angel Albavera-Mata, Pawan Prakash, Jason B Gibson, et al.
Page
of 1