Publications by authors named "Andre Grand"

Claim this Profile
2
2,4-Dichlorophenoxyacetic Acid in the Gas and Crystal Phases and Its Intercalation in Montmorillonite-An Experimental and Theoretical Study.
Claro Ignacio Sainz-Díaz, Nelly L Jorge, Jorge M Romero, André Grand, Alfonso Hernández-Laguna

Molecules· January 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
K
Kinetic Study and Reaction Mechanism of the Gas-Phase Thermolysis Reaction of Methyl Derivatives of 1,2,4,5-Tetroxane.
Alexander G Bordón, Mariela I Profeta, Jorge M Romero, María J Jorge, Lilian C Jorge, André Grand

Molecules· July 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
F
Formation Mechanism of Inter-Crosslink in DNA by Nitrogen Oxides Pollutants through A Diazonium Intermediate.
Noemi Hernandez-Haro, Christian Solis-Calero, Rodrigo Casasnovas, Christophe Morell, Andre Grand

Int J Mol Sci· September 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Theoretical study of the gas-phase thermolysis reaction of 3,6-dimethyl-1,2,4,5-tetroxane. Methyl and axial-equatorial substitution effects.
Alexander G Bordón, Andrea N Pila, Mariela I Profeta, Jorge M Romero, Lilian C Jorge, André Grand

J Mol Model· July 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Correction: Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges.
Jorge Ignacio Martínez-Araya, André Grand, Daniel Glossman-Mitnik

Phys Chem Chem Phys· January 2016

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges.
Jorge Ignacio Martínez-Araya, André Grand, Daniel Glossman-Mitnik

Phys Chem Chem Phys· November 2015

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Solar UV radiation-induced DNA Bipyrimidine photoproducts: formation and mechanistic insights.
Jean Cadet, André Grand, Thierry Douki

Top Curr Chem· April 2015

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Theoretical study of the gas-phase thermolysis of 3-methyl-1,2,4,5-tetroxane.
Mariela Inés Profeta, Jorge Marcelo Romero, Nelly Lidia Jorge, André Grand, Alfonso Hernández-Laguna

J Mol Model· June 2014

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation product.
André Grand, Nelly Jorge, Christophe Morell, Jean Cadet, Leif A Eriksson

J Mol Model· June 2014

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
U
UV-induced formation of the thymine-thymine pyrimidine (6-4) pyrimidone photoproduct--a DFT study of the oxetane intermediate ring opening.
Vanessa Labet, Nelly Jorge, Christophe Morell, Thierry Douki, André Grand

Photochem Photobiol Sci· August 2013

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Is hyper-hardness more chemically relevant than expected?
Christophe Morell, André Grand, Alejandro Toro-Labbé, Henry Chermette

J Mol Model· July 2013

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A physicochemical examination of the free radical scavenging activity of Trolox: mechanism, kinetics and influence of the environment.
Marta E Alberto, Nino Russo, Andre Grand, Annia Galano

Phys Chem Chem Phys· April 2013

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A relation between different scales of electrophilicity: are the scales consistent along a chemical reaction?
Christophe Morell, Bárbara Herrera, Soledad Gutiérrez-Oliva, Maria-Luisa Cerón, André Grand

J Phys Chem A· July 2012

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
1
1,2-Dihydrotriazinyl-N-oxy free radicals.
Peter Brough, Serge Gambarelli, Jean-François Jacquot, André Grand, Jacques Pécaut

Chemistry· September 2011

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
U
Use of the dual potential to rationalize the occurrence of some DNA lesions (pyrimidic dimers).
Christophe Morell, Vanessa Labet, Paul W Ayers, Luigi Genovese, André Grand

J Phys Chem A· July 2011

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Application of the electron density force to chemical reactivity.
Christophe Morell, Paul W Ayers, André Grand, Henry Chermette

Phys Chem Chem Phys· May 2011

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Inclusion of a nitronyl nitroxyl radical and its hydrochloride in cucurbit[8]uril.
Eugenia V Peresypkina, Vladimir P Fedin, Vincent Maurel, André Grand, Paul Rey

Chemistry· November 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms.
Vanessa Labet, Christophe Morell, Alejandro Toro-Labbé, André Grand

Phys Chem Chem Phys· April 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
5
5',8-Cyclo-2'-deoxyadenosine (cdA) formation by gamma-radiation. Theoretical quantum mechanics study.
Boleslaw T Karwowski, Andre Grand, Jean Cadet

Acta Biochim Pol· February 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
H
Hydrolytic deamination of 5,6-dihydrocytosine in a protic medium: a theoretical study.
Vanessa Labet, Christophe Morell, Thierry Douki, Jean Cadet, Leif A Eriksson, André Grand

J Phys Chem A· February 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential.
Christophe Morell, Vanessa Labet, André Grand, Paul W Ayers, Frank De Proft

J Chem Theory Comput· September 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness.
Christophe Morell, Vanessa Labet, André Grand, Henry Chermette

Phys Chem Chem Phys· May 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Mechanism of nitric oxide induced deamination of cytosine.
Vanessa Labet, André Grand, Christophe Morell, Jean Cadet, Leif A Eriksson

Phys Chem Chem Phys· April 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
H
Hydrolytic deamination of 5-methylcytosine in protic medium--a theoretical study.
Vanessa Labet, Christophe Morell, Jean Cadet, Leif A Eriksson, André Grand

J Phys Chem A· March 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Rationalization of Diels-Alder reactions through the use of the dual reactivity descriptor Deltaf(r).
Christophe Morell, Paul W Ayers, André Grand, Soledad Gutiérrez-Oliva, Alejandro Toro-Labbé

Phys Chem Chem Phys· December 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis