Assessment of density functional approximations for N2 and CO2 physisorption on benzene and graphene von Rayón, Víctor M., Cabria, Iván

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

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

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On the Molecular Structure of Uranium Dicarbide: T-Shape versus Linear Isomers von Zalazar, M. Fernanda, Rayón, Víctor M, Largo, Antonio

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Assessment of density functional approximations for N 2 and CO 2 physisorption on benzene and graphene von Rayón, Víctor M, Cabria, Iván

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

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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) von Rayón, Víctor M., Frenking, Gernot

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

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

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Computational Study of the Reaction of P+ with Acetylene: Does Spin-Crossing Play a Significant Role? von Cimas, Álvaro, Rayón, Víctor M, Largo, Antonio

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Structure and Bonding in First-Row Transition-Metal Dicarbides: Are They Related to the Stability of Met-cars? von Rayón, Víctor M., Redondo, Pilar, Barrientos, Carmen, Largo, Antonio

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Small carbides of third-row main group elements: structure and bonding in C3X compounds (X = K-Br) von VILLANUEVA, Estefania F, REDONDO, Pilar, RAYON, Victor M, BARRIENTOS, Carmen, LARGO, Antonio

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Structure and Bonding in First-Row Transition Metal Dicarbide Cations MC2 von Rayón, Víctor M, Redondo, Pilar, Barrientos, Carmen, Largo, Antonio

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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) von Dietz, Oliver, Rayón, Víctor M, Frenking, Gernot

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

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

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

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Polyisocyanides of Titanium von Rayón, Víctor M, Redondo, Pilar, Valdés, Haydee, Barrientos, Carmen, Largo, Antonio

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

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Bis(benzene)chromium Is a δ-Bonded Molecule and Ferrocene Is a π-Bonded Molecule von Rayón, Víctor M, Frenking, Gernot

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