EVELIO
FRANCISCO MIGUELEZ
Catedrático de Universidad
Universidad Nacional Autónoma de México
Ciudad de México, MéxicoPublications in collaboration with researchers from Universidad Nacional Autónoma de México (13)
2023
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Atoms in molecules in real space: a fertile field for chemical bonding
Physical Chemistry Chemical Physics, Vol. 25, Núm. 15, pp. 10231-10262
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The Ehrenfest force field: A perspective based on electron density functions
The Journal of chemical physics, Vol. 159, Núm. 23
2021
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Implementation of the interacting quantum atom energy decomposition using the CASPT2 method
Physical Chemistry Chemical Physics, Vol. 23, Núm. 48, pp. 27508-27519
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The nature of the intermolecular interaction in (H2X)2(X = O, S, Se)
Physical Chemistry Chemical Physics, Vol. 23, Núm. 16, pp. 10097-10107
2020
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DFT performance in the IQA energy partition of small water clusters
Theoretical Chemistry Accounts, Vol. 139, Núm. 1
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Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller–Plesset energy
Journal of Computational Chemistry, Vol. 41, Núm. 13, pp. 1234-1241
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Interacting Quantum Atoms—A Review
Molecules, Vol. 25, Núm. 17
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Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer
Chemistry - A European Journal
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Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer
Chemistry (Weinheim an der Bergstrasse, Germany), Vol. 26, Núm. 71, pp. 17035-17045
2017
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Where Does Electron Correlation Lie? Some Answers from a Real Space Partition
ChemPhysChem, Vol. 18, Núm. 24, pp. 3553-3561
2016
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Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities
Journal of Computational Chemistry, pp. 1753-1765
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Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition
Theoretical Chemistry Accounts, Vol. 135, Núm. 9
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Hydrogen bond cooperativity and anticooperativity within the water hexamer
Physical Chemistry Chemical Physics, Vol. 18, Núm. 29, pp. 19557-19566