| Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes G Frenking, K Wichmann, N Fröhlich, C Loschen, M Lein, J Frunzke, ... Coordination chemistry reviews 238, 55-82, 2003 | 451 | 2003 |
| Energy Partitioning Analysis of the Bonding in Ethylene and Acetylene Complexes of Group 6, 8, and 11 Metals:(CO) 5TM− C2H x and Cl4TM− C2H x (TM= Cr, Mo, W),(CO) 4TM− C2H x … MS Nechaev, VM Rayón, G Frenking The Journal of Physical Chemistry A 108 (15), 3134-3142, 2004 | 223 | 2004 |
| 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 … VM Rayón, G Frenking Chemistry–A European Journal 8 (20), 4693-4707, 2002 | 145 | 2002 |
| Bis (benzene) chromium is a δ-bonded molecule and ferrocene is a π-bonded molecule VM Rayón, G Frenking Organometallics 22 (16), 3304-3308, 2003 | 128 | 2003 |
| Pseudorotation motion in tetrahydrofuran: An ab initio study VM Rayón, JA Sordo The Journal of chemical physics 122 (20), 2005 | 104 | 2005 |
| Molecular structures, bond energies, and bonding analysis of group 11 cyanides TM (CN) and isocyanides TM (NC)(TM= Cu, Ag, Au) O Dietz, VM Rayón, G Frenking Inorganic chemistry 42 (16), 4977-4984, 2003 | 71 | 2003 |
| Enhanced association for C 70 over C 60 with a metal complex with corannulene derivate ligands CM Álvarez, LA García-Escudero, R García-Rodríguez, JM Martín-Álvarez, ... Dalton Transactions 43 (42), 15693-15696, 2014 | 59 | 2014 |
| Cyanides and isocyanides of first-row transition metals: molecular structure, bonding, and isomerization barriers VM Rayón, P Redondo, H Valdés, C Barrientos, A Largo The Journal of Physical Chemistry A 111 (28), 6334-6344, 2007 | 52 | 2007 |
| Structure and Bonding in First‐Row Transition‐Metal Dicarbides: Are They Related to the Stability of Met‐cars? VM Rayón, P Redondo, C Barrientos, A Largo Chemistry–A European Journal 12 (26), 6963-6975, 2006 | 51 | 2006 |
| The tetrahydrofuran⋯ hydrogen chloride complex: Rotational spectrum and theoretical analysis JC López, JL Alonso, FJ Lorenzo, VM Rayón, JA Sordo The Journal of chemical physics 111 (14), 6363-6374, 1999 | 49 | 1999 |
| Monoligand Zn (II) complexes: Ab initio benchmark calculations and comparison with density functional theory methodologies VM Rayon, H Valdés, N Díaz, D Suárez Journal of Chemical Theory and Computation 4 (2), 243-256, 2008 | 48 | 2008 |
| 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 C Barrientos, P Redondo, L Largo, VM Rayón, A Largo The Astrophysical Journal 748 (2), 99, 2012 | 39 | 2012 |
| Computational study on the kinetics of the reaction of N (4S) with CH2F A Cimas, M Aschi, C Barrientos, VM Rayón, JA Sordo, A Largo Chemical physics letters 374 (5-6), 594-600, 2003 | 38 | 2003 |
| Structure of small TiCn clusters: A theoretical study L Largo, A Cimas, P Redondo, VM Rayon, C Barrientos Chemical physics 330 (3), 431-440, 2006 | 36 | 2006 |
| On the validity of the counterpoise correction for the basis set superposition error including the fragment relaxation terms VM Rayón, JA Sordo Theoretical Chemistry Accounts 99, 68-70, 1998 | 36 | 1998 |
| The reaction between NH3+ and CH3COOH: a possible process for the formation of glycine precursors in the interstellar medium L Largo, P Redondo, VM Rayón, A Largo, C Barrientos Astronomy & Astrophysics 516, A79, 2010 | 30 | 2010 |
| Computational study of the reaction of N (D2) atoms with CH2F radicals: An example of a barrier-free reaction involving very high internal energies A Cimas, VM Rayón, M Aschi, C Barrientos, JA Sordo, A Largo The Journal of chemical physics 123 (11), 2005 | 30 | 2005 |
| Structure and Bonding in First-Row Transition Metal Dicarbide Cations MC2+ VM Rayón, P Redondo, C Barrientos, A Largo The Journal of Physical Chemistry A 111 (28), 6345-6353, 2007 | 29 | 2007 |
| Van der Waals complexes between boron trifluoride and carbon monoxide: A theoretical study VM Rayón, JA Sordo The Journal of Physical Chemistry A 101 (40), 7414-7419, 1997 | 29 | 1997 |
| On the molecular structure of uranium dicarbide: T-shape versus linear isomers MF Zalazar, VM Rayon, A Largo The Journal of Physical Chemistry A 116 (11), 2972-2977, 2012 | 26 | 2012 |
