Vicenç Branchadell

Overview

Best Publications

• Potential Energy Surfaces of the Gas-Phase S N 2 Reactions X - +CH 3 X=XCH 3 +X - (X=F,Cl,Br,I): A Comparative Study by Density Functional Theory and ab Initio Methods.

  Liqun Deng;Vicenc Branchadell;Tom Ziegler

  206
  Citations

• Atomic reference energies for density functional calculations

  E.J. Baerends;V. Branchadell;M. Sodupe

  205
  Citations

• THEORETICAL STUDY OF M+-CO2 AND OM+CO SYSTEMS FOR FIRST TRANSITION ROW METAL ATOMS

  M. Sodupe;V. Branchadell;Marzio Rosi;C. W. Bauschlicher

  144
  Citations

• Adsorption of NH3 and H2O in Acidic Chabazite. Comparison of ONIOM Approach with Periodic Calculations

  Xavier Solans-Monfort;Mariona Sodupe;Vicenç Branchadell;Joachim Sauer

  118
  Citations

• Coordination of Cu+ Ions to Zeolite Frameworks Strongly Enhances Their Ability To Bind NO2. An ab Initio Density Functional Study

  † Luis Rodriguez-Santiago;Marek Sierka;Vicenç Branchadell;and Mariona Sodupe

  113
  Citations

• Divergent Routes to Chiral Cyclobutane Synthons from (−)-α-Pinene and Their Use in the Stereoselective Synthesis of Dehydro Amino Acids

  Albertina G. Moglioni;Elena García-Expósito;Gemma P. Aguado;Teodor Parella

  112
  Citations

• Can Cu+-Exchanged Zeolites Store Molecular Hydrogen? An Ab-Initio Periodic Study Compared with Low-Temperature FTIR

  Xavier Solans-Monfort;Vicenc Branchadell;Mariona Sodupe;Claudio M. Zicovich-Wilson

  107
  Citations

• Density functional study of the Fe–CO bond dissociation energies of Fe(CO)5

  Oscar González-Blanco;Vicenç Branchadell

  103
  Citations

• Self-assembly of a cyclobutane beta-tetrapeptide to form nanosized structures.

  Rúa F;Boussert S;Parella T;Díez-Pérez I

  102
  Citations

• A Base-Stabilized Sila-β-Lactone and a Donor/Acceptor-Stabilized Silanoic Acid

  Ricardo Rodriguez;David Gau;Thibault Troadec;Nathalie Saffon-Merceron

  86
  Citations

• A Fairly Stable Crystalline Silanone

  Isabel Alvarado-Beltran;Alfredo Rosas-Sánchez;Antoine Baceiredo;Nathalie Saffon-Merceron

  85
  Citations

• Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst

  Thibault Troadec;Amparo Prades;Ricardo Rodriguez;Raphael Mirgalet

  83
  Citations

• Base-catalyzed anti-markovnikov hydroamination of vinylarenes : Scope, limitations and computational studies

  Patricia Horrillo-Martínez;Kai C. Hultzsch;Adrià Gil;Vicenç Branchadell

  82
  Citations

• Mutual relationship between stacking and hydrogen bonding in DNA. Theoretical study of guanine-cytosine, guanine-5-methylcytosine, and their dimers.

  Carles Acosta-Silva;Vicenç Branchadell;Joan Bertran;Antoni Oliva

  81
  Citations

• Folding and self-assembling with β-oligomers based on (1R,2S)-2-aminocyclobutane-1-carboxylic acid

  Elisabeth Torres;Esther Gorrea;Kepa K. Burusco;Eric Da Silva

  81
  Citations

• Metal−Phosphorus Bonding in Fe(CO)4PR3 Complexes. A Density Functional Study

  Òscar González-Blanco;Vicenç Branchadell

  76
  Citations

• (+)- and (−)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study

  Sandra Izquierdo;Federico Rúa;Abdelouahid Sbai;Teodor Parella

  73
  Citations

• Diastereofacial selectivity in uncatalyzed Diels-Alder cycloadditions involving α,β-unsaturated esters and lactones with stereogenic centers containing oxygen functiionalities

  Ramón Casas;Teodor Parella;Vicenç Branchadell;Antonio Oliva

  72
  Citations

• Enantioselective synthetic approaches to cyclopropane and cyclobutane β-amino acids: synthesis and structural study of a conformationally constrained β-dipeptide

  Marta Martı́n-Vilà;Elena Muray;Gemma P Aguado;Angel Alvarez-Larena

  71
  Citations

• A Theoretical Study of the Endo/Exo Selectivity of the Diels−Alder Reaction between Cyclopropene and Butadiene

  Mariona Sodupe;Raphael Rios;Vicenç Branchadell;Tony Nicholas

  69
  Citations

• Cyclic Amino(Ylide) Silylene: A Stable Heterocyclic Silylene with Strongly Electron‐Donating Character

  Isabel Alvarado-Beltran;Antoine Baceiredo;Nathalie Saffon-Merceron;Vicenç Branchadell

  68
  Citations

• Keto−Enol Isomerization of Acetaldehyde in HZSM5. A Theoretical Study Using the ONIOM2 Method

  Xavier Solans-Monfort;Joan Bertran;Vicenc Branchadell;Mariona Sodupe

  67
  Citations

• Cyclic (Amino)(Phosphonium Bora‐Ylide)Silanone: A Remarkable Room‐Temperature‐Persistent Silanone

  Alfredo Rosas-Sánchez;Isabel Alvarado-Beltran;Antoine Baceiredo;Nathalie Saffon-Merceron

  66
  Citations