José Manuel
Guevara Vela
Publicaciones en las que colabora con José Manuel Guevara Vela (14)
2024
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Radical revelations: the pnictogen effect in linear acetylenes
Physical Chemistry Chemical Physics, Vol. 26, Núm. 9, pp. 7718-7730
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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Wave function analyses of scandium-doped aluminium clusters, AlnSc (n = 1-24), and their CO2 fixation abilities
Physical Chemistry Chemical Physics, Vol. 25, Núm. 28, pp. 18854-18865
2022
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A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives
Molecules (Basel, Switzerland), Vol. 27, Núm. 18
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NNAIMQ: A neural network model for predicting QTAIM charges
Journal of Chemical Physics, Vol. 156, Núm. 1
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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
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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On the strength of hydrogen bonding within water clusters on the coordination limit
Journal of Computational Chemistry, Vol. 41, Núm. 26, pp. 2266-2277
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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
2018
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Stability and trans Influence in Fluorinated Gold(I) Coordination Compounds
European Journal of Inorganic Chemistry, Vol. 2018, Núm. 40, pp. 4413-4420
2017
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Hydrogen-Bond Weakening through π Systems: Resonance-Impaired Hydrogen Bonds (RIHB)
Chemistry - A European Journal, Vol. 23, Núm. 65, pp. 16605-16611
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Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density
Theoretical Chemistry Accounts, Vol. 136, Núm. 5