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The Journal of Chemical Physics|August 24, 2019
Nonequilibrium heat transport in a molecular junction: A mixed quantum-classical approachPablo Carpio-Martínez, Gabriel Hanna
The Journal of Chemical Physics|March 9, 2021
Quantum bath effects on nonequilibrium heat transport in model molecular junctionsPablo Carpio-Martínez, Gabriel Hanna
The Journal of Physical Chemistry. A|June 21, 2024
Spin Energy Contributions of the Kinetic Energy Density in the Stabilization of the Metal-Ligand InteractionsPablo Carpio-Martínez, David I Ramírez-Palma, Fernando Cortés-Guzmán
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 12, 2019
Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak InteractionsPablo Carpio-Martínez, José E Barquera-Lozada, Angel Martín Pendás, et al.
Physical Chemistry Chemical Physics : PCCP|April 21, 2020
Predicting reactive sites with quantum chemical topology: carbonyl additions in multicomponent reactionsDavid I Ramírez-Palma, Cesar R García-Jacas, Pablo Carpio-Martínez, et al.
Scientific Data|August 29, 2024
Quantum Topological Atomic Properties of 44K moleculesBrandon Meza-González, David I Ramírez-Palma, Pablo Carpio-Martínez, et al.
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