Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ...
J. Wiley & Sons, 1998
650 * 1998 Potential Energy Surfaces of the Gas-Phase SN2 Reactions X-+ CH3X= XCH3+ X-(X= F, Cl, Br, I): A Comparative Study by Density Functional Theory and ab Initio Methods L Deng, V Branchadell, T Ziegler
Journal of the American Chemical Society 116 (23), 10645-10656, 1994
205 1994 Atomic reference energies for density functional calculations EJ Baerends, V Branchadell, M Sodupe
Chemical Physics Letters 265 (3-5), 481-489, 1997
200 1997 Theoretical Study of M+ −CO2 and OM+ CO Systems for First Transition Row Metal Atoms M Sodupe, V Branchadell, M Rosi, CW Bauschlicher
The Journal of Physical Chemistry A 101 (42), 7854-7859, 1997
139 1997 Adsorption of NH3 and H2O in acidic chabazite. Comparison of ONIOM approach with periodic calculations X Solans-Monfort, M Sodupe, V Branchadell, J Sauer, R Orlando, ...
The Journal of Physical Chemistry B 109 (8), 3539-3545, 2005
119 2005 Coordination of Cu+ Ions to Zeolite Frameworks Strongly Enhances Their Ability To Bind NO2 . An ab Initio Density Functional Study L Rodriguez-Santiago, M Sierka, V Branchadell, M Sodupe, J Sauer
Journal of the American Chemical Society 120 (7), 1545-1551, 1998
116 1998 Can Cu+ -Exchanged Zeolites Store Molecular Hydrogen? An Ab-Initio Periodic Study Compared with Low-Temperature FTIR X Solans-Monfort, V Branchadell, M Sodupe, CM Zicovich-Wilson, ...
The Journal of Physical Chemistry B 108 (24), 8278-8286, 2004
103 2004 Self-assembly of a cyclobutane β-tetrapeptide to form nanosized structures F Rúa, S Boussert, T Parella, I Díez-Pérez, V Branchadell, E Giralt, ...
Organic Letters 9 (18), 3643-3645, 2007
98 2007 Base-metal-catalyzed olefin isomerization reactions X Liu, B Li, Q Liu
Synthesis 51 (06), 1293-1310, 2019
91 2019 Divergent routes to chiral cyclobutane synthons from (−)-α-pinene and their use in the stereoselective synthesis of dehydro amino acids AG Moglioni, E García-Expósito, GP Aguado, T Parella, V Branchadell, ...
The Journal of organic chemistry 65 (13), 3934-3940, 2000
90 2000 A fairly stable crystalline silanone I Alvarado‐Beltran, A Rosas‐Sánchez, A Baceiredo, N Saffon‐Merceron, ...
Angewandte Chemie 129 (35), 10617-10621, 2017
88 2017 Mutual relationship between stacking and hydrogen bonding in dna. theoretical study of guanine− cytosine, guanine− 5-methylcytosine, and their dimers C Acosta-Silva, V Branchadell, J Bertran, A Oliva
The Journal of Physical Chemistry B 114 (31), 10217-10227, 2010
87 2010 Density functional study of the Fe–CO bond dissociation energies of O González-Blanco, V Branchadell
The Journal of chemical physics 110 (2), 778-783, 1999
82 1999 Cyclic Amino (Ylide) Silylene: A Stable Heterocyclic Silylene with Strongly Electron‐Donating Character I Alvarado‐Beltran, A Baceiredo, N Saffon‐Merceron, V Branchadell, ...
Angewandte Chemie 128 (52), 16375-16378, 2016
77 2016 Folding and self-assembling with β-oligomers based on (1R, 2S)-2-aminocyclobutane-1-carboxylic acid E Torres, E Gorrea, KK Burusco, E Da Silva, P Nolis, F Rúa, S Boussert, ...
Organic & Biomolecular Chemistry 8 (3), 564-575, 2010
74 2010 Cyclic (Amino)(Phosphonium Bora‐Ylide) Silanone: A Remarkable Room‐Temperature‐Persistent Silanone A Rosas‐Sánchez, I Alvarado‐Beltran, A Baceiredo, N Saffon‐Merceron, ...
Angewandte Chemie 129 (50), 16132-16136, 2017
73 2017 (+)-and (−)-2-Aminocyclobutane-1-carboxylic acids and their incorporation into highly rigid β-peptides: Stereoselective synthesis and a structural study S Izquierdo, F Rúa, A Sbai, T Parella, Á Álvarez-Larena, V Branchadell, ...
The Journal of Organic Chemistry 70 (20), 7963-7971, 2005
72 2005 A Theoretical Study of the Endo/Exo Selectivity of the Diels− Alder Reaction between Cyclopropene and Butadiene M Sodupe, R Rios, V Branchadell, T Nicholas, A Oliva, JJ Dannenberg
Journal of the American Chemical Society 119 (18), 4232-4238, 1997
72 1997 Enantioselective synthetic approaches to cyclopropane and cyclobutane β-amino acids: synthesis and structural study of a conformationally constrained β-dipeptide M Martn-Vila, E Muray, GP Aguado, A Alvarez-Larena, V Branchadell, ...
Tetrahedron: Asymmetry 11 (17), 3569-3584, 2000
69 2000 Silacyclopropylideneplatinum (0) complex as a robust and efficient hydrosilylation catalyst T Troadec, A Prades, R Rodriguez, R Mirgalet, A Baceiredo, ...
Inorganic Chemistry 55 (16), 8234-8240, 2016
68 2016 