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Bernal-Uruchurtu, Margarita I.
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Online (30)
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Articles (Online) (28)
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1
Density Functional Study on the Fundamental and Valence Exc..:
Morera-Boado, Cercis
;
Gamboa-Suárez, Antonio
;
Bernal-Uruchurtu, Margarita I.
.
The Journal of Physical Chemistry A. 124 (2020) 38 - p. 7692-7709 , 2020
Link:
https://doi.org/10.1021/..
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2
Crown Ether Ditopic Receptors for Ammonium Salts with High ..:
Rosete-Luna, Sharon
;
Medrano, Felipe
;
Bernal-Uruchurtu, Margarita I.
.
Journal of the Mexican Chemical Society. 53 (2019) 4 - p. , 2019
Link:
https://doi.org/10.29356..
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3
Performance of local correlation methods for halogen bondin..:
Batista-Romero, Fidel A.
;
Pajón-Suárez, Pedro
;
Bernal-Uruchurtu, Margarita I.
.
The Journal of Chemical Physics. 143 (2015) 9 - p. , 2015
Link:
https://doi.org/10.1063/..
?
4
Density-Difference-Driven Optimized Embedding Potential Met..:
Roncero, Octavio
;
Aguado, Alfredo
;
Batista-Romero, Fidel A.
..
Journal of Chemical Theory and Computation. 11 (2015) 3 - p. 1155-1164 , 2015
Link:
https://doi.org/10.1021/..
?
5
Ground state analytical ab initio intermolecular potential ..:
Hormain, Laureline
;
Monnerville, Maurice
;
Toubin, Céline
...
The Journal of Chemical Physics. 142 (2015) 14 - p. , 2015
Link:
https://doi.org/10.1063/..
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6
Theoretical insights on electron donor–acceptor interaction..:
San-Fabián, Emilio
;
Ingrosso, Francesca
;
Lambert, Alexandrine
..
Chemical Physics Letters. 601 (2014) - p. 98-102 , 2014
Link:
https://doi.org/10.1016/..
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7
Metal coordination compounds derived from tinidazole and tr..:
Alfaro-Fuentes, Israel
;
López-Sandoval, Horacio
;
Mijangos, Edgar
...
Polyhedron. 67 (2014) - p. 373-380 , 2014
Link:
https://doi.org/10.1016/..
?
8
Communication: Ab initio study of O4H+: A tracer molecule i..:
Xavier, George D.
;
Bernal-Uruchurtu, Margarita I.
;
Hernández-Lamoneda, Ramón
The Journal of Chemical Physics. 141 (2014) 8 - p. , 2014
Link:
https://doi.org/10.1063/..
?
9
Erratum: "Communication: Ab initio study of O4H+: A tracer ..:
Xavier, George D.
;
Bernal-Uruchurtu, Margarita I.
;
Hernández-Lamoneda, Rámon
The Journal of Chemical Physics. 141 (2014) 10 - p. , 2014
Link:
https://doi.org/10.1063/..
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10
Large Shift and Small Broadening of Br2 Valence Band upon D..:
Franklin-Mergarejo, Ricardo
;
Rubayo-Soneira, Jesus
;
Halberstadt, Nadine
...
The Journal of Physical Chemistry A. 115 (2011) 23 - p. 5983-5991 , 2011
Link:
https://doi.org/10.1021/..
?
11
Charge Separation Process in Water Clusters Containing HCl...:
Arillo Flores, Oscar Ivan
;
Bernal-Uruchurtu, Margarita I.
The Journal of Physical Chemistry A. 114 (2010) 34 - p. 8975-8983 , 2010
Link:
https://doi.org/10.1021/..
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12
Structure, spectroscopy and dynamics of halogen molecules i..:
Bernal-Uruchurtu§, Margarita I.
;
Kerenskaya, Galina
;
Janda, Kenneth C.
International Reviews in Physical Chemistry. 28 (2009) 2 - p. 223-265 , 2009
Link:
https://doi.org/10.1080/..
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13
On the Unusual Properties of Halogen Bonds: A Detailed ab I..:
Bernal-Uruchurtu, Margarita I.
;
Hernández-Lamoneda, Ramón
;
Janda, Kenneth C.
The Journal of Physical Chemistry A. 113 (2009) 19 - p. 5496-5505 , 2009
Link:
https://doi.org/10.1021/..
?
14
On the Organizing Role of Water Molecules in the Assembly o..:
Rodríguez-Cuamatzi, Patricia
;
Luna-García, Rolando
;
Torres-Huerta, Aaron
...
Crystal Growth & Design. 9 (2009) 3 - p. 1575-1583 , 2009
Link:
https://doi.org/10.1021/..
?
15
Theoretical study of the experimental coordination behavior..:
Bernal-Uruchurtu, Margarita I.
;
Metta-Magaña, Alejandro J.
;
Guerrero-Álvarez, Jorge A.
..
Carbohydrate Research. 343 (2008) 16 - p. 2804-2812 , 2008
Link:
https://doi.org/10.1016/..
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