Vicenç Branchadell
Vicenç Branchadell
Catedràtic de química física, Universitat Autònoma de Barcelona
Adresse e-mail validée de uab.cat
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Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
1316*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
1881994
Atomic reference energies for density functional calculations
EJ Baerends, V Branchadell, M Sodupe
Chemical Physics Letters 265 (3-5), 481-489, 1997
1831997
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
1321997
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
1102005
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
1041998
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
942004
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
932007
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
822000
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
702010
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
652000
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
642010
Density functional study of the Fe–CO bond dissociation energies of
O Gonzalez-Blanco, V Branchadell
The Journal of chemical physics 110 (2), 778-783, 1999
641999
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
641997
(+)-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
632005
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
632002
14-Helical folding in a cyclobutane-containing β-tetrapeptide
S Izquierdo, MJ Kogan, T Parella, AG Moglioni, V Branchadell, E Giralt, ...
The Journal of organic chemistry 69 (15), 5093-5099, 2004
622004
Reaction between N-Alkylhydroxylamines and Chiral Enoate Esters:  More Experimental Evidence for a Cycloaddition-like Process, a Rationale Based on DFT …
AG Moglioni, E Muray, JA Castillo, Á Álvarez-Larena, GY Moltrasio, ...
The Journal of Organic Chemistry 67 (8), 2402-2410, 2002
612002
Density functional study of complexes between Lewis acids and bases
V Branchadell, A Sbai, A Oliva
The Journal of Physical Chemistry 99 (17), 6472-6476, 1995
591995
Highly efficient pyridylpyrazole ligands for the heck reaction. A combined experimental and computational study
V Montoya, J Pons, V Branchadell, J Garcia-Antón, X Solans, ...
Organometallics 27 (6), 1084-1091, 2008
572008
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