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Villegas-Escobar, Nery
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1

Molecular Environment Modulates CO2 Liberation from Carboxy..:

Murillo-Lopez, Juliana A. ; Villegas-Escobar, Nery ; Vogt-Geisse, Stefan.
The Journal of Physical Chemistry B.  128 (2024)  22 - p. 5327-5335 , 2024
Link: https://doi.org/10.1021/..
 
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2

Insights into the variations of kinetic and potential energ..:

Villegas-Escobar, Nery
Journal of Molecular Modeling.  30 (2024)  8 - p. , 2024
Link: https://doi.org/10.1007/..
 
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3

Contributors:

, In: Chemical Reactivity,
Akbarov, Khamdam ; Astudillo-Sánchez, P.D. ; Ayarde-Henríquez, Leandro... - p. xv-xvii , 2023
Link: https://doi.org/10.1016/..
 
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4

The diabatic model of intermediate stabilization for reacti..:

, In: Chemical Reactivity,
Durán, Rocío ; Villegas-Escobar, Nery ; Ortega, Daniela E.. - p. 347-375 , 2023
Link: https://doi.org/10.1016/..
 
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5

Air- and Water-Stable Heteroleptic Copper (I) Complexes Bea..:

Moreno-da Costa, David ; Zúñiga-Loyola, César ; Droghetti, Federico...
Molecules.  29 (2023)  1 - p. 47 , 2023
Link: https://doi.org/10.3390/..
 
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6

High-Level Coupled-Cluster Study on Substituent Effects in ..:

Villegas-Escobar, Nery ; Hoobler, Preston R. ; Toro-Labbé, Alejandro.
The Journal of Physical Chemistry A.  127 (2023)  4 - p. 956-965 , 2023
Link: https://doi.org/10.1021/..
 
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7

Substituent Effects on Aluminyl Anions and Derived Systems:..:

Hoobler, Preston R. ; Villegas-Escobar, Nery ; Turney, Justin M...
The Journal of Physical Chemistry A.  125 (2021)  48 - p. 10379-10391 , 2021
Link: https://doi.org/10.1021/..
 
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8

Trapping an unusual pentacoordinate carbon atom in a neutra..:

Villegas-Escobar, Nery ; Martínez, Javier ; Matute, Ricardo A....
Chemical Communications.  57 (2021)  80 - p. 10327-10330 , 2021
Link: https://doi.org/10.1039/..
 
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9

Toward a Neutral Single-Component Amidinate Iodide Aluminum..:

Saltarini, Sebastián ; Villegas-Escobar, Nery ; Martínez, Javier...
Inorganic Chemistry.  60 (2020)  2 - p. 1172-1182 , 2020
Link: https://doi.org/10.1021/..
 
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10

Theoretical study of glycine amino acid adsorption on graph..:

Rossi-Fernández, Ana C. ; Villegas-Escobar, Nery ; Guzmán-Angel, Daniela...
Journal of Molecular Modeling.  26 (2020)  2 - p. , 2020
Link: https://doi.org/10.1007/..
 
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11

Formation of Formic Acid Derivatives through Activation and..:

Villegas-Escobar, Nery ; Schaefer III, Henry F. ; Toro-Labbé, Alejandro
The Journal of Physical Chemistry A.  124 (2020)  6 - p. 1121-1133 , 2020
Link: https://doi.org/10.1021/..
 
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12

Decomposition of the electronic activity in competing [5,6]..:

Villegas-Escobar, Nery ; Poater, Albert ; Solà, Miquel..
Physical Chemistry Chemical Physics.  21 (2019)  9 - p. 5039-5048 , 2019
Link: https://doi.org/10.1039/..
 
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13

Fe-doped graphene nanosheet as an adsorption platform of ha..:

Cortés-Arriagada, Diego ; Villegas-Escobar, Nery ; Ortega, Daniela E.
Applied Surface Science.  427 (2018)  - p. 227-236 , 2018
Link: https://doi.org/10.1016/..
 
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14

Reaction Electronic Flux Perspective on the Mechanism of th..:

Matute, Ricardo A. ; Pérez, Patricia ; Chamorro, Eduardo...
The Journal of Organic Chemistry.  83 (2018)  11 - p. 5969-5974 , 2018
Link: https://doi.org/10.1021/..
 
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15

Substituent effects on the photophysical properties of amin..:

Muñoz-Becerra, Karina ; Villegas-Escobar, Nery ; Zúñiga-Loyola, César..
Molecular Physics.  117 (2018)  9-12 - p. 1451-1458 , 2018
Link: https://doi.org/10.1080/..
 
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