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101

Topological properties of the electronic density of CO-MgF2and OC-MgF2adducts

O. G. Stradella, S. A. Maluendes, E. A. Castro, A. H. Jubert

Journal:

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

Year:

1987

Language:

english

File:

PDF, 297 KB

english, 1987

102

A theoretical study of the relative stability of the isomeric forms of N2O3

Alicia H. Jubert, Eduardo L. Varetti, Hugo O. Villar, Eduardo A. Castro

Journal:

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

Year:

1984

Language:

english

File:

PDF, 183 KB

english, 1984

103

Prone positioning in acute respiratory distress syndrome: a

Rafael Fernandez, Xavier Trenchs, Jordi Klamburg, Jon Castedo, Jose Manuel Serrano, Guillermo Besso, Juan Pedro Tirapu, Antonio Santos, Arantxa Mas, Manuel Parraga, Paola Jubert, Fernando Frutos, Jose

Journal:

Intensive Care Medicine

Year:

2008

Language:

english

File:

PDF, 98 KB

english, 2008

104

Conformational and electronic (AIM/NBO) study of unsubstituted A-type dimeric proanthocyanidin

Rosana M. Lobayan, Alicia H. Jubert, Martín G. Vitale, Alicia B. Pomilio

Journal:

Journal of Molecular Modeling

Year:

2009

Language:

english

File:

PDF, 422 KB

english, 2009

105

Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid

Nieves C. Comelli, Patricio Fuentealba, Eduardo A. Castro, Alicia H. Jubert

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 722 KB

english, 2010

106

Theoretical study of Z isomers of A-type dimeric proanthocyanidins substituted with R=H, OH and OCH3: stability and reactivity properties

Erika N. Bentz, Alicia H. Jubert, Alicia B. Pomilio, Rosana M. Lobayan

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 628 KB

english, 2010

107

Electronic structure and conformational properties of1H-indole-3-acetic acid

María C. Pérez Schmit, Alicia H. Jubert, Arturo Vitale, Rosana M. Lobayan

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 497 KB

english, 2011

108

Theoretical studies and vibrational spectra of1H-indole-3-acetic acid. Exploratory conformational analysis of dimeric species

Rosana Maria Lobayan, María Celia Pérez Schmit, Alicia H. Jubert, Arturo Vitale

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 459 KB

english, 2011

109

Topological properties of some PhSeX compounds

Nora Beatriz Okulik, Alicia H. Jubert, Eduardo A. Castro

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 278 KB

english, 2012

110

Theoretical studies on the structure and spectroscopic properties of pseudohalides

N. B. Okulik, A. H. Jubert, E. A. Castro

Journal:

Journal of Structural Chemistry

Year:

2008

Language:

english

File:

PDF, 176 KB

english, 2008

111

Vibrational and theoretical studies of the non-steroidal anti-inflamatory drugs Niflumic [2-3((3-trifluoromethyl)phenylamino)-3-pyridinecarboxylic acid]; Diclofenac [[2-(2,6-dichlorophenyl)amino]-benzeneacetic acid] and Indometacin acids [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid]

Alicia Jubert, Néstor E. Massa, Leonor López Tévez, Nora Beatriz Okulik

Journal:

Vibrational Spectroscopy

Year:

2005

Language:

english

File:

PDF, 760 KB

english, 2005

112

Spectroscopic and theoretical study in substituted N-phenoxyethylanilines

Mirta Finazzi, Rosana Piovoso, Néstor E Massa, Alicia H Jubert, Gustavo Romanelli, Jorge Jios, Juan Carlos Autino

Journal:

Journal of Physics and Chemistry of Solids

Year:

2003

Language:

english

File:

PDF, 1006 KB

english, 2003

113

Molecular structure and spectroscopic characterization of cobalt and copper complexes with a hexadentate nitrogen ligand, 1,10-bis(2-pyridylmethyl)-1,4,7,10-tetraazadecane

Caroline Jubert, Aminou Mohamadou, Emmanuel Guillon, Jean-Pierre Barbier

Journal:

Year:

2000

Language:

english

File:

PDF, 169 KB

english, 2000

114

Length of cord blood unit cryopreservation does not impact hematopoietic engraftment

Charlotte Jubert, Eric Wagner, Sonia Bizier, Marie-France Vachon, Michel Duval, Martin A. Champagne

Journal:

Transfusion (Wiley)

Year:

2008

Language:

english

File:

PDF, 87 KB

english, 2008

115

Viability of a 12-Ring Complete Tracheal Segment Transferred in the Form of a Compound Flap: An Experimental Study in Dogs

Jubert Sanches Cibantos Filho, Francisco Veríssimo de Mello Filho, Antonio Dorival Campos, Fred Ellinguer

Journal:

The Laryngoscope

Year:

2004

Language:

english

File:

PDF, 696 KB

english, 2004

116

A first step to the rational design of an organometallic catalyst: RhxHySnz(CH3)n

A.H. Jubert, M.C. Michelini, G.L. Estiú, O.A. Ferretti

Journal:

Catalysis Letters

Year:

1997

Language:

english

File:

PDF, 372 KB

english, 1997

117

Monodisperse Cobalt Ferrite Nanomagnets with Uniform Silica Coatings

Dai, Qiu, Lam, Michelle, Swanson, Sally, Yu, Rui-Hui Rachel, Milliron, Delia J., Topuria, Teya, Jubert, Pierre-Olivier, Nelson, Alshakim

Journal:

Year:

2010

Language:

english

File:

PDF, 2.34 MB

english, 2010

118

Preparation of new classes of aliphatic, allylic, and benzylic zinc and copper reagents by the insertion of zinc dust into organic halides, phosphates, and sulfonates

Jubert, Carole, Knochel, Paul

Journal:

Journal of Organic Chemistry

Year:

1992

Language:

english

File:

PDF, 962 KB

english, 1992

119

ChemInform Abstract: Structural and Topologic Aspects of Carbonium Ions (C=1-4)

Nora B. Okulik, Alicia H. Jubert, Eduardo A. Castro

Journal:

Year:

2012

File:

PDF, 18 KB

2012

120

Theoretical calculation of the singlet-triplet electronic transition and photochemical reactivity in carbonyl fluoride, trifluoroacetyl fluoride and perfluoromethyl perfluoroacetate

E. Ottavianelli, E. A. Castro, A. H. Jubert

Journal:

Chinese Journal of Chemistry

Year:

1990

Language:

english

File:

PDF, 263 KB

english, 1990

121

QSPR Study of Valproic Acid and Its Functionalized Derivatives

Nieves C. Comelli, Pablo R. Duchowicz, Rosana M. Lobayan, Alicia H. Jubert, Eduardo A. Castro

Journal:

Molecular Informatics

Year:

2012

Language:

english

File:

PDF, 358 KB

english, 2012

122

Dose-Dependent Metabolism of Fluoromethyl-2,2-difluoro-1-(trifluoromethyl)vinyl Ether (Compound A), an Anesthetic Degradation Product, to Mercapturic Acids and 3,3,3-Trifluoro-2-(fluoromethoxy)propanoic Acid in Rats

Evan D. Kharasch, Carole Jubert, Douglas K. Spracklin, Gary M. Hoffman

Journal:

Toxicology and Applied Pharmacology

Year:

1999

Language:

english

File:

PDF, 136 KB

english, 1999

123

Theoretical calculation of the unimolecular decomposition of the fluorine fluorosulfonate molecule

E. A. Castro, A. H. Jubert

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

1978

Language:

english

File:

PDF, 203 KB

english, 1978

124

Unimolecular decomposition of CF3OF-calculation by reduced Kassel integral in factorized form

C. J. Cobos, A. H. Jubert

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

1979

Language:

english

File:

PDF, 172 KB

english, 1979

125

Structural and electronic properties of Z isomers of (4α→6´´,2α→O→1´´)-phenylflavans substituted with R = H, OH and OCH3calculated in aqueous solution with PCM solvation model

Rosana Maria Lobayan, Erika N. Bentz, Alicia H. Jubert, Alicia B. Pomilio

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 357 KB

english, 2012

126

Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO study

Rosana M. Lobayan, María C. Pérez Schmit, Alicia H. Jubert, Arturo Vitale

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 698 KB

english, 2012

127

Quantum topological description of the charge density of the ON-NO2 and ON-NSO molecules

O.G. Stradella, S.A. Maluendes, E.A. Castro, A.H. Jubert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 408 KB

english, 1990

128

Ab initio study of the vibrational properties of perfluoroacetaldehyde

Emilce Ottavianelli, Sergio Maluendes, Eduardo Castro, Alicia Jubert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 302 KB

english, 1990

129

H2on MoS2: a molecular orbital study

R.Pis Diez, A.H. Jubert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 403 KB

english, 1990

130

Electronic and vibrational properties of ONNO2 and ONNSO

S.A. Maluendes, A.H. Jubert, E.A. Castro

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 442 KB

english, 1990

131

Ab initio study of the electronic, vibrational and rotational properties of perfluoroacetylchloride and trifluoroacetaldehyde

E. Ottavianelli, E.A. Castro, A.H. Jubert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 517 KB

english, 1992

132

Ab initio study of the electronic, vibrational and rotational properties of CF3OOX (X = H, F, Cl)

Emilce E. Ottavianelli, Alicia H. Jubert, Eduardo A. Castro

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 831 KB

english, 1992

133

Theoretical study of the spectroscopic and conducting properties of 4,4'-bipyridine and its protonated and reduced species

Reinaldo Pis Diez, Alicia H. Jubert, Emilce Ottavianelli

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 579 KB

english, 1993

134

Semiempirical SCF/CI interpretation of the origin of the catalytic activity of transition metal-macrocycle complexes

Guillermina L. Estiú, Alicia H. Jubert, José Molina, Juan Costamagna, Juan Canales, Juan Vargas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 686 KB

english, 1995

135

Theoretical study of the photochemical decomposition of CF3COF

A.H. Jubert, E.A. Castro, E. Ottavianelli, R. Cachau

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 636 KB

english, 1995

136

Theoretical study of the effect of hydrogen adsorption on the activation of supported rhodium catalysts

M.C. Michelini, A.H. Jubert, G.L. Estiu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 578 KB

english, 1995

137

Quantitation of mercapturic acid conjugates of 4-hydroxy-2-nonenal and 4-oxo-2-nonenal metabolites in a smoking cessation study

Heather C. Kuiper, Brandi L. Langsdorf, Cristobal L. Miranda, Jacqueline Joss, Carole Jubert, John E. Mata, Jan F. Stevens

Journal:

Free Radical Biology and Medicine

Year:

2010

Language:

english

File:

PDF, 664 KB

english, 2010

138

UV spectroscopic analysis of substituted 1,2,4-trioxanes. Theoretical and experimental study of cis-6-phenyl-5,6-(2-phenylpropylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane, cis-6-(4-fluorophenyl)-5,6-(2-(4-fluorophenyl)-propylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane and cis-6-(-4-methylphenyl)-5,6-(2-(4-methylphenyl)-propylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane molecules

Alicia H Jubert, Reinaldo Pis Diez, Lázaro F.R Cafferata

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 671 KB

english, 2001

139

UV-visible spectroscopy in the interpretation of the tautomeric equilibrium of N,N′(bis-3,5-di-bromo-salicyliden)-1,2-diaminobenzene and the redox activity of its Co(II) complex. A quantum chemical approach.

G.L. Estiú, A.H. Jubert, J. Costamagna, J. Vargas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 1.19 MB

english, 1996

140

Theoretical study of hydrogen bonding in the 1-hydroperoxy-1-(p-nitrophenyl) ethanol

A.H Jubert, E.A Castro, L.F.R Cafferata

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 75 KB

english, 1998

141

The adsorption of thiophene on a partially hydrogenated MoS2 cluster. A ZINDO-MRCI study

A.H Jubert, R Pis-Diez, Guillermina L Estiú, F Ruette

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 131 KB

english, 1999

142

Density functional calculations of Ni5 and Ni6 clusters

M.C. Michelini, R.P. Diez, A.H. Jubert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 242 KB

english, 1999

143

UV spectroscopic analysis of a substituted 1,2,4-trioxane molecule: theoretical and experimental study of cis-6-phenyl-5,6-(2-phenyl propyliden)-3,3-tetramethylen-1,2,4-trioxacyclohexane

A.H. Jubert, E.A. Castro, L.F.R. Cafferata

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 128 KB

english, 2000

144

A conformational study of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane using molecular dynamics and density functional theory

R. Pis Diez, A.H. Jubert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 123 KB

english, 2000

145

Tuberculosis miliar en paciente tratado con instilaciones intravesicales de bacilo de Calmette-Guérin

Y. del Castillo Durán, F. Bodí Santos, D. Castander Serentill, P. Jubert Montaperto, P. Espinosa Valencia, C. Rabassó Solé

Journal:

Medicina Intensiva

Year:

2006

File:

PDF, 113 KB

2006

146

Growth and magnetism of epitaxial self-assembled Fe nanostructures on a Mo(1 1 0) surface

P.-O. Jubert, O. Fruchart, C. Meyer

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2001

Language:

english

File:

PDF, 155 KB

english, 2001

147

Vertical self-organization of epitaxial magnetic nanostructures

O. Fruchart, P.-O. Jubert, C. Meyer, M. Klaua, J. Barthel, J. Kirschner

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2002

Language:

english

File:

PDF, 560 KB

english, 2002

148

Specific problems of arterial, Swan-Ganz, and hemodialysis catheters

Jordi Rello, Paola Jubert, M. Eugenia Esandi, Jordi Vallés

Journal:

Year:

1997

Language:

english

File:

PDF, 846 KB

english, 1997

149

Anaemia during pregnancy as a risk factor for infant iron deficiency: report from the Valencia Infant Anaemia Cohort (VIAC) study

Julia Colomer, Concepción Colomer, Dolores Gutierrez, Angeles Jubert, Andres Nolasco, Joaquín Donat, Rafael Fernandez-Delgado, Francisco Donat, Carlos Alvarez-Dardet

Journal:

Paediatric and Perinatal Epidemiology

Year:

1990

Language:

english

File:

PDF, 456 KB

english, 1990

150

Preparation of polyfunctional nitro olefins and nitroalkanes using the copper-zinc reagents RCu(CN)ZnI

Jubert, Carole, Knochel, Paul

Journal:

Journal of Organic Chemistry

Year:

1992

Language:

english

File:

PDF, 1.16 MB

english, 1992