V. M. Rayón

发表

Charged titanium-doped carbon clusters: Structures and energetics

P. Redondo, C. Barrientos, A. Cimas, 2007 .

Theoretical study of possible interstellar processes for the production of C2Cl precursors

C. Barrientos, A. Largo, V. M. Rayón, 1998 .

Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies.

D. Suárez, N. Díaz, H. Valdés, 2011, The journal of physical chemistry. A.

Methanol-sulfur dioxide van der Waals complexes: A theoretical study

V. M. Rayón, J. Sordo, 1997 .

Assessment of density functional approximations for N2 and CO2 physisorption on benzene and graphene

I. Cabria, V. M. Rayón, 2022, J. Comput. Chem..

Reaction of carbon atoms with H2Cl+: an ab initio study of a possible interstellar process

C. Barrientos, A. Largo, V. M. Rayón, 1996 .

High‐level ab initio predictions of CO2N2O structure

H. Valdés, V. M. Rayón, J. Sordo, 2001 .

Bis(benzene)chromium Is a δ-Bonded Molecule and Ferrocene Is a π-Bonded Molecule†

Gernot Frenking, G. Frenking, Victor M. Rayon, 2003 .

Ab initio and experimental studies on the hetero-Diels-Alder and cheletropic additions of sulfur dioxide to (E)-1-methoxybutadiene: A mechanism involving three molecules of SO2

P. Vogel, V. M. Rayón, J. Sordo, 2002 .

Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes☆

G. Frenking, M. Lein, N. Fröhlich, 2003 .

Cyanide complexes of Ti(IV): a computational study.

P. Redondo, C. Barrientos, A. Largo, 2009, The Journal of chemical physics.

The tetrahydrofuran⋯hydrogen chloride complex: Rotational spectrum and theoretical analysis

J. López, J. Alonso, Felipe J. Lorenzo, 1999 .

On the molecular structure of uranium dicarbide: T-shape versus linear isomers.

M. F. Zalazar, A. Largo, V. M. Rayón, 2012, The journal of physical chemistry. A.

Enhanced association for C70 over C60 with a metal complex with corannulene derivate ligands.

L. García-Escudero, J. Martín-Álvarez, D. Miguel, 2014, Dalton transactions.

Monoligand Zn(II) Complexes: Ab Initio Benchmark Calculations and Comparison with Density Functional Theory Methodologies.

Dimas Suárez, Natalia Díaz, D. Suárez, 2008, Journal of chemical theory and computation.

Cyanides and isocyanides of first-row transition metals: molecular structure, bonding, and isomerization barriers.

P. Redondo, C. Barrientos, H. Valdés, 2007, The journal of physical chemistry. A.

Structure of small TiCn clusters: A theoretical study

P. Redondo, C. Barrientos, A. Cimas, 2006 .

Pseudorotation motion in tetrahydrofuran: an ab initio study.

Víctor M Rayón, Jose A Sordo, V. M. Rayón, 2005, The Journal of chemical physics.

GAS-PHASE SYNTHESIS OF PRECURSORS OF INTERSTELLAR GLYCINE: A COMPUTATIONAL STUDY OF THE REACTIONS OF ACETIC ACID WITH HYDROXYLAMINE AND ITS IONIZED AND PROTONATED DERIVATIVES

P. Redondo, C. Barrientos, A. Largo, 2012 .

Could the reactions of formic acid with CH3NH2+/CH3NH3+ produce protonated glycine?

P. Redondo, C. Barrientos, A. Largo, 2010 .

The reaction between NH3+ and CH3COOH: a possible process for the formation of glycine precursors in the interstellar medium

P. Redondo, C. Barrientos, A. Largo, 2010 .

Gas-Phase Reaction of NH2(+) with Acetic Acid: Implications in Astrochemistry.

P. Redondo, C. Barrientos, A. Largo, 2008, Journal of chemical theory and computation.

Small carbides of third-row main group elements: structure and bonding in C3X compounds (X = K-Br).

P. Redondo, C. Barrientos, A. Largo, 2012, Physical chemistry chemical physics : PCCP.

Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations.

P. Redondo, C. Barrientos, A. Largo, 2014, Physical chemistry chemical physics : PCCP.

Reactivity of first-row transition metal monocations (Sc+, Ti+, V+, Zn+) with methyl fluoride: a computational study.

P. Redondo, C. Barrientos, A. Largo, 2013, The journal of physical chemistry. A.

Computational study of the reaction of N(2D) atoms with CH2F radicals: an example of a barrier-free reaction involving very high internal energies.

C. Barrientos, M. Aschi, A. Largo, 2005, The Journal of chemical physics.

Structural Trends in Monoboronyl Compounds: Analysis of the Interaction of Second-Row Elements with BO.

P. Redondo, C. Barrientos, A. Largo, 2018, The journal of physical chemistry. A.

Stability of protonated and ionized hydroxylamine in the interstellar medium

P. Redondo, C. Barrientos, A. Largo, 2009 .

Cyclopropane⋯sulfur dioxide and ethylene⋯sulfur dioxide van der Waals complexes: A theoretical study

V. M. Rayón, J. Sordo, 1999 .

Molecular Structure and Bonding in Plutonium Carbides: A Theoretical Study of PuC3.

C. Barrientos, A. Largo, G. Molpeceres, 2016, The journal of physical chemistry. A.

Molecular structure of uranium carbides: isomers of UC3.

M. F. Zalazar, A. Largo, V. M. Rayón, 2013, The Journal of chemical physics.

On the violation of Legon–Millen's rules for predicting angular geometries of hydrogen-bonded dimers: an ab initio study

H. Valdés, V. M. Rayón, J. Sordo, 1999 .

The tetrahydropyran⋯HCl dimer: a theoretical study

H. Valdés, V. M. Rayón, J. Sordo, 2000 .

Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride.

P. Redondo, C. Barrientos, A. Largo, 2013, The journal of physical chemistry. A.

Computational study of the reaction of P+ with acetylene: does spin-crossing play a significant role?

A. Largo, A. Cimas, V. M. Rayón, 2012, The journal of physical chemistry. A.

Structure and stability of neutral cyanide complexes of copper and zinc

P. Redondo, C. Barrientos, A. Largo, 2011 .

Neutral cyanide complexes of iron: Structure and stability

Carmen Barrientos, P. Redondo, C. Barrientos, 2010 .

Structure and bonding in third-row main group dicarbides C2X (X=K-Br).

P. Redondo, C. Barrientos, A. Largo, 2010, The Journal of chemical physics.

A computational study of arsenic dicarbide (C2As)

P. Redondo, C. Barrientos, A. Largo, 2010 .

A theoretical study of the [FeCN]+ system: Cyanide–isocyanide competition and isomerization barrier

Carmen Barrientos, P. Redondo, C. Barrientos, 2007 .

Structure and bonding in first-row transition-metal dicarbides: are they related to the stability of met-cars?

P. Redondo, C. Barrientos, A. Largo, 2006, Chemistry.

Structure of binary titaniumcarbon ions: A theoretical study of TiC2+ and Ti2C4+

P. Redondo, C. Barrientos, A. Largo, 2006 .

Molecular structures, bond energies, and bonding analysis of group 11 cyanides TM(CN) and isocyanides TM(NC) (TM = Cu, Ag, Au)

G. Frenking, V. M. Rayón, Oliver Dietz, 2003 .

Structures, bond energies, heats of formation, and quantitative bonding analysis of main-group metallocenes [E(Cp)2] (E = Be-Ba, Zn, Si-Pb) and [E(Cp)] (E = Li-Cs, B-Tl).

G. Frenking, V. M. Rayón, 2002, Chemistry.

On the nature of the interaction in donor-acceptor van der Waals complexes: BH3…CO, BF3…CO, BH3…NH3 and BF3…NH3

V. M. Rayón, J. Sordo, 1998 .

Theoretical study of the C–F bond activation in methyl fluoride by alkaline-earth metal monocations

P. Redondo, C. Barrientos, A. Largo, 2011 .

Energy Partitioning Analysis of the Bonding in Ethylene and Acetylene Complexes of Group 6, 8, and 11 Metals: (CO)5TM−C2Hx and Cl4TM−C2Hx (TM = Cr, Mo, W), (CO)4TM−C2Hx (TM = Fe, Ru, Os), and TM+−C2Hx (TM = Cu, Ag, Au)†,§,⊥

G. Frenking, M. Nechaev, V. M. Rayón, 2004 .

Structural Trends in Monoboronyl Compounds: Analysis of the Interaction of Second-Row Elements with BO.

P. Redondo, C. Barrientos, A. Largo, 2018, The journal of physical chemistry. A.

Acetylene ⋯ sulfur dioxide van der Waals complexes: a theoretical study

V. M. Rayón, J. Sordo, 2001 .

Cyanide complexes of Ti(IV): a computational study.

P. Redondo, C. Barrientos, A. Largo, 2009, Journal of Chemical Physics.

Polyisocyanides of titanium.

Carmen Barrientos, P. Redondo, C. Barrientos, 2009, The journal of physical chemistry. A.