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51

A comparative study on the 1,3-dipolar cycloadditions of diazomethane and bis(diisopropylamino)phosphinodiazomethane to chiral electron-deficient olefins: reactivity and diastereoselectivity

Ona Illa, Elena Muray, Déborah Amsallem, Albertina G. Moglioni, Heinz Gornitzka, Vicenç Branchadell, Antoine Baceiredo, Rosa M. Ortuño

Journal:

Tetrahedron: Asymmetry

Year:

2002

Language:

english

File:

PDF, 912 KB

english, 2002

52

Energy analysis of the chemical bond in group IV and V complexes: A density functional theory study

O. Kh. Poleshchuk, E. L. Shevchenko, V. Branchadell, M. Lein, G. Frenking

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 110 KB

english, 2005

53

Modeling of epoxy oligomers with nonlinear optical chromophores in the main chain: molecular dynamics and quantum chemical study

Marina Yu. Balakina, Olga D. Fominykh, Federico Rua, Vicenç Branchadell

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 355 KB

english, 2007

54

Density functional methods in the study of oxygen transfer reactions

Carles Acosta-Silva, Vicenç Branchadell

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2009

Language:

english

File:

PDF, 329 KB

english, 2009

55

DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes

O. K. Poleshchuk, E. L. Shevchenko, V. Branchadell, A. Schulz, B. Nogaj, B. Brycki

Journal:

Hyperfine Interactions

Year:

2004

Language:

english

File:

PDF, 282 KB

english, 2004

56

Quadrupole coupling constants and isomeric Mössbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

O. K. Poleshchuk, V. Branchadell, R. A. Ritter, A. V. Fateev

Journal:

Hyperfine Interactions

Year:

2008

Language:

english

File:

PDF, 268 KB

english, 2008

57

Enantioselective synthesis of chiral polyfunctional cyclopentane derivatives: Epoxy esters, hydroxy esters, and hydroxy amino esters

Miguel Díaz, Vicenç Branchadell, Antoni Oliva, Rosa M. Ortuño

Journal:

Year:

1995

Language:

english

File:

PDF, 1003 KB

english, 1995

58

Highly stereoselective and easy synthesis of enantiopure phosphoranyl oxiranes

Ona Illa, Ángel Álvarez-Larena, Antoine Baceiredo, Vicenç Branchadell, Rosa M. Ortuño

Journal:

Tetrahedron: Asymmetry

Year:

2007

Language:

english

File:

PDF, 266 KB

english, 2007

59

Understanding the π-facial diastereoselectivity in the addition of chiral diaminophosphino(silyl)carbenes to activated olefins

Ona Illa, Xavier Bagan, Antoine Baceiredo, Vicenç Branchadell, Rosa M. Ortuño

Journal:

Tetrahedron: Asymmetry

Year:

2008

Language:

english

File:

PDF, 324 KB

english, 2008

60

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, Rosa M. Ortuño, André Guingant

Journal:

Year:

1992

Language:

english

File:

PDF, 1.33 MB

english, 1992

61

5-Ylidene-2(5H)-furanones as dienophiles in Diels-Alder cycloadditions: effect of the substituents on the site-selectivity

V. Branchadell, J. Font, A. Oliva, J. Ortí, R.M. Ortuño, S. Rafel, N. Terris, M. Ventura

Journal:

Year:

1991

Language:

english

File:

PDF, 683 KB

english, 1991

62

A Biradical Mechanism in the Diels−Alder Reactions of 5-Methylene-2(5H)-furanones: Experimental Evidence and Theoretical Rationalization

Branchadell, Vicenç, Font, Josep, Moglioni, Albertina G., Ochoa de Echagüen, Cristina, Oliva, Antonio, Ortuño, Rosa M., Veciana, Jaume, Vidal-Gancedo, José

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 522 KB

english, 1997

63

Mutual Relationship between Stacking and Hydrogen Bonding in DNA. Theoretical Study of Guanine−Cytosine, Guanine−5-methylcytosine, and Their Dimers

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

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 350 KB

english, 2010

64

Activation of CO2 and SO2 by Boryl(phosphino)carbenes

Dr. Florie Lavigne, Dr. Eddy Maerten, Dr. Gilles Alcaraz, Prof. Vicenç Branchadell, Dr. Nathalie Saffon-Merceron, Dr. Antoine Baceiredo

Journal:

Angewandte Chemie

Year:

2012

Language:

english

File:

PDF, 373 KB

english, 2012

65

ChemInform Abstract: Rotational Barriers in Trimethylenemethane-Fe(CO)2L Complexes. A Density Functional Study

V. BRANCHADELL, L. DENG, T. ZIEGLER

Journal:

Year:

1995

File:

PDF, 24 KB

1995

66

ChemInform Abstract: Enantioselective Synthesis of Chiral Polyfunctional Cyclopentane Derivatives: Epoxy Esters, Hydroxy Esters, and Hydroxy Amino Esters.

M. DIAZ, V. BRANCHADELL, A. OLIVA, R. M. ORTUNO

Journal:

Year:

1996

File:

PDF, 32 KB

1996

67

ChemInform Abstract: Ab initio Study of endo/exo and Diastereofacial Selectivities in Diels- Alder Reactions Between Chiral Butenolides and Cyclopentadiene.

A. SBAI, V. BRANCHADELL, A. OLIVA

Journal:

Year:

1996

File:

PDF, 27 KB

1996

68

The Lewis acidity scale of boron trihalides: An ab initio study

Vicenç Branchadell, Antonio Oliva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1991

Language:

english

File:

PDF, 597 KB

english, 1991

69

Theoretical study of the regioselectivity in the diels-alder reactions of protoanemonin with substituted dienes

J. Ortí, V. Branchadell, R.M. Ortuño, A. Oliva, J. Font, J. Bertrán, J.J. Dannenberg

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 319 KB

english, 1993

70

Theoretical study of the ScCO2 → OScCO reaction

Mariona Sodupe, Vicenç Branchadell, Antonio Oliva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 515 KB

english, 1996

71

Secondary Structure of Short β-Peptides as the Chiral Expression of Monomeric Building Units: A Rational and Predictive Model

Gorrea, Esther, Pohl, Gábor, Nolis, Pau, Celis, Sergio, Burusco, Kepa K., Branchadell, Vicenç, Perczel, András, Ortuño, Rosa M.

Journal:

Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 854 KB

english, 2012

72

Density Functional Study of Complexes between Lewis Acids and Bases

Branchadell, Vicenc, Sbai, Abdelouahid, Oliva, Antonio

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 572 KB

english, 1995

73

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

Deng, Liqun, Branchadell, Vicenc, Ziegler, Tom

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.51 MB

english, 1994

74

Searching for new cell-penetrating agents: hybrid cyclobutane–proline γ,γ-peptides

Gorrea, Esther, Carbajo, Daniel, Gutiérrez-Abad, Raquel, Illa, Ona, Branchadell, Vicenç, Royo, Miriam, Ortuño, Rosa M.

Journal:

Organic & Biomolecular Chemistry

Year:

2012

Language:

english

File:

PDF, 628 KB

english, 2012

75

Borylated Methylenephosphonium Salts: Precursors of Elusive Boryl(phosphino)carbenes

Lavigne, Florie, Maerten, Eddy, Alcaraz, Gilles, Saffon-Merceron, Nathalie, Acosta-Silva, Carles, Branchadell, Vicenç, Baceiredo, Antoine

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 317 KB

english, 2010

76

Solvent effect in the Diels-Alder reaction

L. Pardo, V. Branchadell, A. Oliva, J. Bertrán

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1983

Language:

english

File:

PDF, 217 KB

english, 1983

77

Acid catalysis in cycloaddition reactions

J. Bertran, V. Branchadell, M. Duran, A. Oliva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 296 KB

english, 1984

78

Reactivity and selectivity in catalyzed diels-alder reactions

V. Branchadell, A. Oliva, J. Bertran

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 367 KB

english, 1985

79

Rationalization of the catalytic effect on the reactivity—selectivity relationship in diels—alder reactions

V. Branchadell, A. Oliva, J. Bertrán

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1986

Language:

english

File:

PDF, 246 KB

english, 1986

80

Etude theorique du mecanisme et de la selectivite des reactions de diels—alder

V. Branchadell, A. Oliva, J. Betrán

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1986

File:

PDF, 675 KB

1986

81

Low-molecular-weight gelators consisting of hybrid cyclobutane-based peptides

Celis, Sergi, Nolis, Pau, Illa, Ona, Branchadell, Vicenç, Ortuño, Rosa M.

Journal:

Organic & Biomolecular Chemistry

Year:

2013

Language:

english

File:

PDF, 1.33 MB

english, 2013

82

Electron hole formation in acidic zeolite catalysts

Solans-Monfort, Xavier, Branchadell, Vicenç, Sodupe, Mariona, Sierka, Marek, Sauer, Joachim

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 439 KB

english, 2004

83

Nature and Strength of Metal−Chalcogen Multiple Bonds in High Oxidation State Complexes

González-Blanco, Òscar, Branchadell, Vicenç, Monteyne, Kereen, Ziegler, Tom

Journal:

Inorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 80 KB

english, 1998

84

Theoretical and Experimental Investigation of the Basicity of Phosphino(silyl)carbenes

Martin, David, Illa, Ona, Baceiredo, Antoine, Bertrand, Guy, Ortuño, Rosa M., Branchadell, Vicenç

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 343 KB

english, 2005

85

CH/π Interactions in DNA and Proteins. A Theoretical Study

Gil, Adrià, Branchadell, Vicenç, Bertran, Joan, Oliva, Antoni

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 411 KB

english, 2007

86

Coordination of Cu + Ions to Zeolite Frameworks Strongly Enhances Their Ability To Bind NO 2 . An ab Initio Density Functional Study

Rodriguez-Santiago, Luis, Sierka, Marek, Branchadell, Vicenç, Sodupe, Mariona, Sauer, Joachim

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 159 KB

english, 1998

87

Quantum Mechanical Study on the Mechanism of Peptide Release in the Ribosome

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

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.49 MB

english, 2013

88

Prediction of p K a Values of n ido -Carboranes by Density Functional Theory Methods

Farràs, Pau, Teixidor, Francesc, Branchadell, Vicenç

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 212 KB

english, 2006

89

Hetero-Diels–Alder reactions involving Fe(CO) 3 -coordinated dienal and formyltrimethylenemethane catalyzed by Lewis acids — A theoretical study 1

Acosta-Silva, Carles, González-Blanco, Òscar, Branchadell, Vicenç

Journal:

Canadian Journal of Chemistry

Year:

2009

Language:

english

File:

PDF, 626 KB

english, 2009

90

On the NO Decomposition by Cu−ZSM-5 through the ZCu(NO 2 )(NO) or ZCu(N 2 O 3 ) Intermediates

Solans-Monfort, Xavier, Branchadell, Vicenç, Sodupe, Mariona

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 135 KB

english, 2002

91

Adsorption of NH 3 and H 2 O in Acidic Chabazite. Comparison of ONIOM Approach with Periodic Calculations

Solans-Monfort, Xavier, Sodupe, Mariona, Branchadell, Vicenç, Sauer, Joachim, Orlando, Roberto, Ugliengo, Piero

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 469 KB

english, 2005

92

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

Moglioni, Albertina G., García-Expósito, Elena, Aguado, Gemma P., Parella, Teodor, Branchadell, Vicenç, Moltrasio, Graciela Y., Ortuño, Rosa M.

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 94 KB

english, 2000

93

Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties

Guerrero, Miguel, Pons, Josefina, Ros, Josep, Font-Bardia, Mercè, Vallcorba, Oriol, Rius, Jordi, Branchadell, Vicenç, Merkoçi, Arben

Journal:

Year:

2011

Language:

english

File:

PDF, 840 KB

english, 2011

94

Metal−Phosphorus Bonding in Fe(CO) 4 PR 3 Complexes. A Density Functional Study

González-Blanco, Òscar, Branchadell, Vicenç

Journal:

Organometallics

Year:

1997

Language:

english

File:

PDF, 182 KB

english, 1997

95

Foldamers of β-peptides: conformational preference of peptides formed by rigid building blocks. The first MI-IR spectra of a triamide nanosystem

Gábor Pohl, Esther Gorrea, Vicenç Branchadell, Rosa M. Ortuño…

Journal:

Year:

2013

Language:

english

File:

PDF, 939 KB

english, 2013

96

Intra- and Intermolecular 1,3-Dipolar Cycloaddition of Sugar Ketonitrones with Mono-, Di-, and Trisubstituted Dipolarophiles

Torrente, Susana, Noya, Beatriz, Branchadell, Vicenç, Alonso, Ricardo

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 337 KB

english, 2003

97

On the Bonding in Sc-CO2

Sodupe, Mariona, Branchadell, Vicenc, Oliva, Antonio

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 622 KB

english, 1995

98

Density functional study of the Fe–CO bond dissociation energies of Fe(CO)[sub 5]

González-Blanco, Oscar, Branchadell, Vicenç

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 403 KB

english, 1999

99

Self-Assembly of a Cyclobutane β-Tetrapeptide To Form Nanosized Structures

Rúa, Federico, Boussert, Stéphanie, Parella, Teodor, Díez-Pérez, Ismael, Branchadell, Vicenç, Giralt, Ernest, Ortuño, Rosa M.

Journal:

Organic Letters

Year:

2007

Language:

english

File:

PDF, 195 KB

english, 2007

100

Structure and Fluxional Behavior of (η 4 -butadiene)Fe(CO) 2 L (L = CO, PH 3 , PMe 3 ) Complexes. A Density Functional Study

González-Blanco, Òscar, Branchadell, Vicenç

Journal:

Organometallics

Year:

1997

Language:

english

File:

PDF, 184 KB

english, 1997