EVELIO
FRANCISCO MIGUELEZ
Catedrático de Universidad
José Manuel
Guevara Vela
Publications dans lesquelles il/elle collabore avec José Manuel Guevara Vela (15)
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
2022
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Partition of the electronic energy of the PM7 method via the interacting quantum atoms approach
Physical Chemistry Chemical Physics, Vol. 24, Núm. 32, pp. 19521-19530
2021
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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
2019
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Exotic Bonding Regimes Uncovered in Excited States
Chemistry - A European Journal, Vol. 25, Núm. 52, pp. 12169-12179
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Partition of electronic excitation energies: The IQA/EOM-CCSD method
Physical Chemistry Chemical Physics, Vol. 21, Núm. 25, pp. 13428-13439
2017
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An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor
Physical Chemistry Chemical Physics, Vol. 19, Núm. 3, pp. 1790-1797
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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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Emergent Scalar and Vector Fields in Quantum Chemical Topology
Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 131-150
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Hydrogen bond cooperativity and anticooperativity within the water hexamer
Physical Chemistry Chemical Physics, Vol. 18, Núm. 29, pp. 19557-19566
2013
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Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach
Chemistry - A European Journal, Vol. 19, Núm. 42, pp. 14304-14315