Publications by authors named "Victor M Rayon"

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The influence of halogen-mediated interactions on halogen abstraction reactions by formyl radicals.
Matias O Miranda, Darío J R Duarte, Victor M Rayón

Phys Chem Chem Phys· February 2025

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Assessment of density functional approximations for N and CO physisorption on benzene and graphene.
Víctor M Rayón, Iván Cabria

J Comput Chem· August 2022

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Structural Trends in Monoboronyl Compounds: Analysis of the Interaction of Second-Row Elements with BO.
Pilar Redondo, Víctor M Rayón, Carmen Barrientos, Antonio Largo

J Phys Chem A· January 2018

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Molecular Structure and Bonding in Plutonium Carbides: A Theoretical Study of PuC3.
Germán Molpeceres, Víctor M Rayón, Carmen Barrientos, Antonio Largo

J Phys Chem A· April 2016

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Enhanced association for C70 over C60 with a metal complex with corannulene derivate ligands.
Celedonio M Álvarez, Luis A García-Escudero, Raúl García-Rodríguez, Jose M Martín-Álvarez, Daniel Miguel

Dalton Trans· November 2014

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Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations.
Pilar Redondo, Antonio Largo, Víctor Manuel Rayón, Germán Molpeceres, José Ángel Sordo

Phys Chem Chem Phys· August 2014

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Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride.
Carmen Barrientos, Víctor Manuel Rayón, Antonio Largo, José Ángel Sordo, Pilar Redondo

J Phys Chem A· August 2013

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Reactivity of first-row transition metal monocations (Sc+, Ti+, V+, Zn+) with methyl fluoride: a computational study.
Pilar Redondo, Adrián Varela-Álvarez, Víctor Manuel Rayón, Antonio Largo, José Ángel Sordo

J Phys Chem A· April 2013

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Molecular structure of uranium carbides: isomers of UC3.
M Fernanda Zalazar, Víctor M Rayón, Antonio Largo

J Chem Phys· March 2013

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Small carbides of third-row main group elements: structure and bonding in C3X compounds (X = K-Br).
Estefanía F Villanueva, Pilar Redondo, Víctor M Rayón, Carmen Barrientos, Antonio Largo

Phys Chem Chem Phys· November 2012

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Computational study of the reaction of P+ with acetylene: does spin-crossing play a significant role?
Álvaro Cimas, Víctor M Rayón, Antonio Largo

J Phys Chem A· March 2012

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On the molecular structure of uranium dicarbide: T-shape versus linear isomers.
M Fernanda Zalazar, Víctor M Rayón, Antonio Largo

J Phys Chem A· March 2012

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Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies.
Dimas Suárez, Víctor M Rayón, Natalia Díaz, Haydée Valdés

J Phys Chem A· October 2011

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Structure and bonding in third-row main group dicarbides C2X (X=K-Br).
Víctor M Rayón, Pilar Redondo, Carmen Barrientos, Antonio Largo

J Chem Phys· September 2010

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Cyanide complexes of Ti(IV): a computational study.
Víctor M Rayón, Pilar Redondo, Carmen Barrientos, Antonio Largo

J Chem Phys· September 2009

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Polyisocyanides of titanium.
Víctor M Rayón, Pilar Redondo, Haydee Valdés, Carmen Barrientos, Antonio Largo

J Phys Chem A· February 2009

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Gas-Phase Reaction of NH2(+) with Acetic Acid: Implications in Astrochemistry.
Laura Largo, Víctor M Rayón, Carmen Barrientos, Antonio Largo, Pilar Redondo

J Chem Theory Comput· December 2008

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Monoligand Zn(II) Complexes:  Ab Initio Benchmark Calculations and Comparison with Density Functional Theory Methodologies.
Víctor M Rayón, Haydee Valdés, Natalia Díaz, Dimas Suárez

J Chem Theory Comput· February 2008

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Structure and bonding in first-row transition metal dicarbide cations MC2+.
Víctor M Rayón, Pilar Redondo, Carmen Barrientos, Antonio Largo

J Phys Chem A· July 2007

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Cyanides and isocyanides of first-row transition metals: molecular structure, bonding, and isomerization barriers.
Víctor M Rayón, Pilar Redondo, Haydee Valdés, Carmen Barrientos, Antonio Largo

J Phys Chem A· July 2007

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Structure and bonding in first-row transition-metal dicarbides: are they related to the stability of met-cars?
Víctor M Rayón, Pilar Redondo, Carmen Barrientos, Antonio Largo

Chemistry· September 2006

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Computational study of the reaction of N(2D) atoms with CH2F radicals: an example of a barrier-free reaction involving very high internal energies.
Alvaro Cimas, Víctor M Rayón, Massimiliano Aschi, Carmen Barrientos, José A Sordo

J Chem Phys· September 2005

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A computational study of the reaction of ground-state nitrogen atoms with chloromethyl radicals.
Alvaro Cimas, Víctor M Rayón, Massimiliano Aschi, Carmen Barrientos, José A Sordo

J Phys Chem A· July 2005

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Pseudorotation motion in tetrahydrofuran: an ab initio study.
Víctor M Rayón, Jose A Sordo

J Chem Phys· May 2005

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Molecular structures, bond energies, and bonding analysis of group 11 cyanides TM(CN) and isocyanides TM(NC) (TM = Cu, Ag, Au).
Oliver Dietz, Víctor M Rayón, Gernot Frenking

Inorg Chem· August 2003

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