Encyclopedia of computational chemistry PR Schleyer (No Title), 1998 | 466 | 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 | 203 | 1994 |
Atomic reference energies for density functional calculations EJ Baerends, V Branchadell, M Sodupe Chemical Physics Letters 265 (3-5), 481-489, 1997 | 193 | 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 | 140 | 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 | 112 | 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 | 102 | 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 | 97 | 2007 |
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 | 88 | 2010 |
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 | 86 | 2000 |
A fairly stable crystalline silanone I Alvarado‐Beltran, A Rosas‐Sánchez, A Baceiredo, N Saffon‐Merceron, ... Angewandte Chemie 129 (35), 10617-10621, 2017 | 78 | 2017 |
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 | 77 | 1999 |
Base-metal-catalyzed olefin isomerization reactions X Liu, B Li, Q Liu Synthesis 51 (06), 1293-1310, 2019 | 74 | 2019 |
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 |
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 | 70 | 1997 |
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 | 68 | 2016 |
(+)-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 | 68 | 2005 |
Keto− enol isomerization of acetaldehyde in HZSM5. A theoretical study using the ONIOM2 method X Solans-Monfort, J Bertran, V Branchadell, M Sodupe The Journal of Physical Chemistry B 106 (39), 10220-10226, 2002 | 67 | 2002 |
Mechanism of olefin cyclopropanation by diazomethane catalyzed by palladium dicarboxylates. a density functional study C Rodríguez-García, A Oliva, RM Ortuño, V Branchadell Journal of the American Chemical Society 123 (25), 6157-6163, 2001 | 67 | 2001 |
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 | 67 | 2000 |