Alvarez Idaboy, J. Raúl: search on Z-Library

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1

On the Importance of Prereactive Complexes in Molecule−Radical Reactions: Hydrogen Abstraction from Aldehydes by OH

Raúl Alvarez-Idaboy, J., Mora-Diez, Nelaine, Boyd, Russell J., Vivier-Bunge, Annik

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 158 KB

english, 2001

2

Lipoic Acid and Dihydrolipoic Acid. A Comprehensive Theoretical Study of Their Antioxidant Activity Supported by Available Experimental Kinetic Data

Castañeda-Arriaga, Romina, Alvarez-Idaboy, J. Raul

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

3

Computational Quantum Chemistry: A Reliable Tool in the Understanding of Gas-Phase Reactions

Galano, Annia, Alvarez-Idaboy, J. Raúl, Vivier-Bunge, Annik

Journal:

Journal of Chemical Education

Year:

2006

Language:

english

File:

PDF, 318 KB

english, 2006

4

Melatonin and its Metabolites as Chemical Agents Capable of Directly Repairing Oxidized DNA

Pérez-González, Adriana, Castañeda-Arriaga, Romina, Álvarez-Idaboy, Juan Raúl, Reiter, Russel J., Galano, Annia

Journal:

Journal of Pineal Research

Year:

2018

Language:

english

File:

PDF, 597 KB

english, 2018

5

Antioxidant activity of propyl gallate in aqueous and lipid media: a theoretical study

Medina, Manuel E., Iuga, Cristina, Alvarez-Idaboy, Juan Raúl

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

6

Food Antioxidants: Chemical Insights at the Molecular Level

Galano, Annia, Mazzone, Gloria, Alvarez-Diduk, Ruslán, Marino, Tiziana, Alvarez Idaboy, J. Raúl, Russo, Nino

Journal:

Annual Review of Food Science and Technology

Year:

2016

Language:

english

File:

PDF, 3.82 MB

english, 2016

7

Rate Coefficient and Mechanism of the Gas Phase OH Hydrogen Abstraction Reaction from Formic Acid: A Quantum Mechanical Approach

Galano, Annia, Alvarez-Idaboy, J. Raúl, Ruiz-Santoyo, Ma. Esther, Vivier-Bunge, Annik

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 169 KB

english, 2002

8

Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms

Mazzone, Gloria, Galano, Annia, Alvarez-Idaboy, Juan Raul, Russo, Nino

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 567 KB

english, 2016

9

Computational strategies for predicting free radical scavengers' protection against oxidative stress: Where are we and what might follow?

Galano, Annia, Raúl Alvarez-Idaboy, Juan

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 1.79 MB

english, 2018

10

Acid-Catalyzed Nucleophilic Additions to Carbonyl Groups: Is the Accepted Mechanism the Rule or an Exception?

Reyes, Lino, Nicolás-Vázquez, Inés, Mora-Diez, Nelaine, Alvarez-Idaboy, J. Raul

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 2.06 MB

english, 2013

11

A Possible Mechanism for Furan Formation in the Tropospheric Oxidation of Dienes

Francisco-Márquez, Misaela, Alvarez-Idaboy, J. Raúl, Galano, Annia, Vivier-Bunge, Annik

Journal:

Environmental Science & Technology

Year:

2005

Language:

english

File:

PDF, 281 KB

english, 2005

12

A New Specific Mechanism for the Acid Catalysis of the Addition Step in the Baeyer−Villiger Rearrangement

Alvarez-Idaboy, J. Raúl, Reyes, Lino, Cruz, Julián

Journal:

Organic Letters

Year:

2006

Language:

english

File:

PDF, 117 KB

english, 2006

13

A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity

Galano, Annia, Alvarez-Idaboy, Juan Raúl

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 620 KB

english, 2013

14

Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals

Galano, Annia, Alvarez-Idaboy, J. Raúl

Journal:

Year:

2011

Language:

english

File:

PDF, 1.10 MB

english, 2011

15

Computational and experimental study of the interactions between ionic liquids and volatile organic compounds

Gao, Tingting, Andino, Jean M., Alvarez-Idaboy, J. Raul

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.28 MB

english, 2010

16

Theoretical Model of Furan and 2-Furancarboxaldehyde. The Molecular Structure and Vibrational Spectra, Including Isotopic Effects

Montero, Luis A., Gonzalez-Jonte, Raul, Diaz, Lourdes A., Alvarez-Idaboy, J. R.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 790 KB

english, 1994

17

Theoretical Study of the Copper Complexes with Lipoic and Dihydrolipoic Acids

Castañeda-Arriaga, Romina, Alvarez-Idaboy, J. Raul, Mora-Diez, Nelaine

Journal:

Year:

2016

Language:

english

File:

PDF, 1.58 MB

english, 2016

18

On the Chemical Repair of DNA Radicals by Glutathione: Hydrogen vs Electron Transfer

Alvarez-Idaboy, Juan Raúl, Galano, Annia

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.18 MB

english, 2012

19

A quantum chemical study on the free radical scavenging activity of tyrosol and hydroxytyrosol

Annia Galano, Juan Raúl Alvarez-Idaboy, Misaela Francisco-Márquez, Manuel E. Medina

Journal:

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

Year:

2012

Language:

english

File:

PDF, 596 KB

english, 2012

20

Modelling the Chemical Repair of Protein Carbon-Centered Radicals Formed via Oxidative Damage with Dihydrolipoic Acid

Castañeda-Arriaga, Romina, Mora-Diez, Nelaine, Alvarez-Idaboy, J. Raul

Journal:

Year:

2015

Language:

english

File:

PDF, 678 KB

english, 2015

21

Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms

Mazzone, Gloria, Galano, Annia, Alvarez-Idaboy, Juan Raul, Russo, Nino

Journal:

Journal of Chemical Information and Modeling

Year:

2016

File:

PDF, 567 KB

2016

22

Non-covalent π–π stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions

Muñoz-Rugeles, Leonardo, Galano, Annia, Raúl Alvarez-Idaboy, J.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 833 KB

english, 2017

23

Dual antioxidant/pro-oxidant behavior of the tryptophan metabolite 3-hydroxyanthranilic acid: a theoretical investigation of reaction mechanisms and kinetics

Pérez-González, Adriana, Alvarez-Idaboy, Juan Raúl, Galano, Annia

Journal:

New Journal of Chemistry

Year:

2017

Language:

english

File:

PDF, 1.94 MB

english, 2017

24

Mechanisms and rate constants in the atmospheric oxidation of saturated esters by hydroxyl radicals: A theoretical study

Moises Cordova-Gomez, Cristina Iuga, Juan Raúl Alvarez-Idaboy

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 1.15 MB

english, 2012

25

Theoretical model of the electrophilic substitution in pentagonal unsaturated heterocycles: Part I. substituent effects by MNDO

J.Raul Alvarez-Idaboy, Diana Cuza, Luis A. Montero, Rita Isoba

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 732 KB

english, 1990

26

The mechanism of the Baeyer–Villiger rearrangement: quantum chemistry and TST study supported by experimental kinetic data

Alvarez-Idaboy, J. Raul, Reyes, Lino, Mora-Diez, Nelaine

Journal:

Organic & Biomolecular Chemistry

Year:

2007

Language:

english

File:

PDF, 232 KB

english, 2007

27

An experimental and theoretical study of the kinetics and mechanism of hydroxyl radical reaction with 2-aminopyrimidine

Prasanthkumar, Kavanal P., Alvarez-Idaboy, Juan Raul

Journal:

Year:

2014

Language:

english

File:

PDF, 532 KB

english, 2014

28

Theoretical study of reactions of the 1-butene radical cation in frozen halocarbon matrixes

Alvarez-Idaboy, J. Raul, Eriksson, Leif A., Lunell, Sten

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 362 KB

english, 1993

29

Primary antioxidant and metal-binding effects of tiopronin: A theoretical investigation of its action mechanism

Castañeda-Arriaga, Romina, Vivier-Bunge, Annik, Raul Alvarez-Idaboy, J.

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 1.87 MB

english, 2016

30

Non-alkane behavior of cyclopropane and its derivatives: characterization of unconventional hydrogen bond interactions

Annia Galano, J. Raúl Alvarez-Idaboy, Annik Vivier-Bunge

Journal:

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

Year:

2007

Language:

english

File:

PDF, 586 KB

english, 2007

31

Dihydroxybenzoic acids as free radical scavengers: mechanisms, kinetics, and trends in activity

Pérez-González, Adriana, Galano, Annia, Alvarez-Idaboy, Juan Raúl

Journal:

New Journal of Chemistry

Year:

2014

Language:

english

File:

PDF, 2.54 MB

english, 2014

32

Comprehensive Investigation of the Antioxidant and Pro-oxidant Effects of Phenolic Compounds: A Double-Edged Sword in the Context of Oxidative Stress?

Castañeda-Arriaga, Romina, Pérez-González, Adriana, Reina, Miguel, Alvarez-Idaboy, J. Raúl, Galano, Annia

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 1.74 MB

english, 2018

33

Quantum chemical and conventional TST calculations of rate constants for the OH + alkane reaction

Graciela Bravo-Pérez, J. Raúl Alvarez-Idaboy, Annia Galano Jiménez, Armando Cruz-Torres

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 418 KB

english, 2005

34

Radical scavenging activity of ascorbic acid analogs: kinetics and mechanisms

Ardjani, Taki Eddine Ahmed, Alvarez-Idaboy, Juan Raul

Journal:

Theoretica Chimica Acta

Year:

2018

Language:

english

File:

PDF, 723 KB

english, 2018

35

Quantum Chemical and Conventional Transition-State Theory Calculations of Rate Constants for the NO 3 + Alkane Reaction

Bravo-Pérez, Graciela, Alvarez-Idaboy, J. Raúl, Cruz-Torres, Armando, Ruíz, Ma. Esther

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 164 KB

english, 2002

36

Rate coefficients and mechanism of the gas phase OH hydrogen abstraction reaction from serine: a quantum mechanical approach

Annia Galano, J.Raúl Alvarez-Idaboy, Armando Cruz-Torres, Ma.Esther Ruiz-Santoyo

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 315 KB

english, 2003

37

The Baeyer–Villiger reaction: solvent effects on reaction mechanisms

Mora-Diez, Nelaine, Keller, Samantha, Alvarez-Idaboy, J. Raúl

Journal:

Organic & Biomolecular Chemistry

Year:

2009

Language:

english

File:

PDF, 380 KB

english, 2009

38

A new approach to counterpoise correction to BSSE

Annia Galano, J. Raúl Alvarez–Idaboy

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 166 KB

english, 2006

39

Quantum chemistry and TST study of the mechanism and kinetics of the butadiene and isoprene reactions with mercapto radicals

Misaela Francisco-Márquez, J. Raul Alvarez-Idaboy, Annia Galano, Annik Vivier-Bunge

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 393 KB

english, 2008

40

On the possible catalytic role of a single water molecule in the acetone

Cristina Iuga, J. Raul Alvarez-Idaboy, Annik Vivier-Bunge

Journal:

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

Year:

2011

Language:

english

File:

PDF, 464 KB

english, 2011

41

ROS Initiated Oxidation of Dopamine under Oxidative Stress Conditions in Aqueous and Lipidic Environments

Iuga, Cristina, Alvarez-Idaboy, J. Raul, Vivier-Bunge, Annik

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.90 MB

english, 2011

42

A theoretical investigation of the mechanism of the NO3 addition to alkenes

Rocío Cartas-Rosado, J. Raúl Alvarez-Idaboy, Annia Galano-Jiménez, Annik Vivier-Bunge

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 361 KB

english, 2004

43

Reinvestigating the Role of Multiple Hydrogen Transfers in Baeyer−Villiger Reactions

Alvarez-Idaboy, J. Raul, Reyes, Lino

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 112 KB

english, 2007

44

Quantum chemistry and TST study of the mechanisms and branching ratios for the reactions of OH with unsaturated aldehydes

Vega-Rodriguez, Aidee, Alvarez-Idaboy, J. Raúl

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

45

Theoretical Determination of the Rate Constant for OH Hydrogen Abstraction from Toluene

Uc, Víctor H., Alvarez-Idaboy, J. Raúl, Galano, Annia, García-Cruz, Isidoro, Vivier-Bunge, Annik

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 155 KB

english, 2006

46

Isopropylcyclopropane + OH Gas Phase Reaction: A Quantum Chemistry + CVT/SCT Approach

Galano, Annia, Cruz-Torres, Armando, Alvarez-Idaboy, J. Raúl

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 305 KB

english, 2006

47

Theoretical approach to cationic polymerization of alkenylfurans. II. Ab initio and semiempirical study of relevant steps in the reaction mechanism

J. Raul Alvarez-Idaboy, Annia Galano, Luis A. Montero, Ricardo Martínez

Journal:

Journal of Polymer Science Part A: Polymer Chemistry

Year:

1992

Language:

english

File:

PDF, 463 KB

english, 1992

48

Influence of the Environment on the Protective Effects of Guaiacol Derivatives against Oxidative Stress: Mechanisms, Kinetics, and Relative Antioxidant Activity

Galano, Annia, León-Carmona, Jorge Rafael, Alvarez-Idaboy, Juan Raúl

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 380 KB

english, 2012

49

On the evolution of one-electron-oxidized deoxyguanosine in damaged DNA under physiological conditions: a DFT and ONIOM study on proton transfer and equilibrium

Galano, Annia, Alvarez-Idaboy, Juan Raúl

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.47 MB

english, 2012

50

Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants

Galano, Annia, Muñoz-Rugeles, Leonardo, Alvarez-Idaboy, Juan Raul, Bao, Junwei (Lucas), Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.53 MB

english, 2015

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