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The Journal of Chemical Physics
|
January 10, 2006
Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory
I Ciofini, C Adamo, H Chermette
Inorganic Chemistry
|
April 12, 2021
Correlation between Second Ionization Potential and Nonlinear Optical Properties of Bivalent Transition-Metal Complexes: A Quantum Chemical Study
Meriem Zaidi, Douniazed Hannachi, Henry Chermette
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2012
Oxo iron(IV) as an oxidative active intermediate of p-chlorophenol in the Fenton reaction: a DFT study
Pierre Mignon, Marc Pera-Titus, Henry Chermette
The Journal of Chemical Physics
|
June 11, 2005
Interaction of lead atom with atmospheric dioxygen and ozone: quantic study of the structure and the stability of resulting Pb(On) (n=1,2,3) compounds
Adil Touimi Benjelloun, Abdelali Daoudi, Henry Chermette
The Journal of Chemical Physics
|
October 12, 2004
Interaction of lead atom with atmospheric hydroxyl radical. An ab initio and density functional theory study of the resulting complexes PbOH and HPbO
Adil Touimi Benjelloun, Abdelali Daoudi, Henry Chermette
Journal of Molecular Modeling
|
November 11, 2025
New sensors based on DNA base pairs: DFT, QTAIM, and NCI-RDG study
Mona Boudiaf, Nour Elyakine Amraoui, Henry Chermette
The Journal of Physical Chemistry. A
|
July 13, 2006
Calculation of ionization potentials of small molecules: a comparative study of different methods
Virginie Lemierre, Anna Chrostowska, Alain Dargelos, et al.
Inorganic Chemistry
|
April 27, 2004
Exchange coupling of paramagnetic ions in a polyoxometalate matrix: density functional study of diiron(III) substituted gamma-silicotungstates
Ekaterina M Zueva, Henry Chermette, Serguei A Borshch
The Journal of Physical Chemistry. A
|
November 13, 2019
Substituent Effect on the Himbert Intramolecular Arene/Allene Diels-Alder Reaction: NBO Analysis and State Specific Dual Descriptors
Lynda Merzoud, Amar Saal, Christophe Morell, et al.
Journal of Computational Chemistry
|
May 31, 2021
Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints
Lynda Merzoud, Frédéric Guégan, Henry Chermette, et al.
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of 13
Search research articles
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Showing results (11-20 of 128) with videos related to
Sort By:
Page
of 13
The Journal of Chemical Physics
|
January 10, 2006
Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory
I Ciofini, C Adamo, H Chermette
Inorganic Chemistry
|
April 12, 2021
Correlation between Second Ionization Potential and Nonlinear Optical Properties of Bivalent Transition-Metal Complexes: A Quantum Chemical Study
Meriem Zaidi, Douniazed Hannachi, Henry Chermette
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2012
Oxo iron(IV) as an oxidative active intermediate of p-chlorophenol in the Fenton reaction: a DFT study
Pierre Mignon, Marc Pera-Titus, Henry Chermette
The Journal of Chemical Physics
|
June 11, 2005
Interaction of lead atom with atmospheric dioxygen and ozone: quantic study of the structure and the stability of resulting Pb(On) (n=1,2,3) compounds
Adil Touimi Benjelloun, Abdelali Daoudi, Henry Chermette
The Journal of Chemical Physics
|
October 12, 2004
Interaction of lead atom with atmospheric hydroxyl radical. An ab initio and density functional theory study of the resulting complexes PbOH and HPbO
Adil Touimi Benjelloun, Abdelali Daoudi, Henry Chermette
Journal of Molecular Modeling
|
November 11, 2025
New sensors based on DNA base pairs: DFT, QTAIM, and NCI-RDG study
Mona Boudiaf, Nour Elyakine Amraoui, Henry Chermette
The Journal of Physical Chemistry. A
|
July 13, 2006
Calculation of ionization potentials of small molecules: a comparative study of different methods
Virginie Lemierre, Anna Chrostowska, Alain Dargelos, et al.
Inorganic Chemistry
|
April 27, 2004
Exchange coupling of paramagnetic ions in a polyoxometalate matrix: density functional study of diiron(III) substituted gamma-silicotungstates
Ekaterina M Zueva, Henry Chermette, Serguei A Borshch
The Journal of Physical Chemistry. A
|
November 13, 2019
Substituent Effect on the Himbert Intramolecular Arene/Allene Diels-Alder Reaction: NBO Analysis and State Specific Dual Descriptors
Lynda Merzoud, Amar Saal, Christophe Morell, et al.
Journal of Computational Chemistry
|
May 31, 2021
Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints
Lynda Merzoud, Frédéric Guégan, Henry Chermette, et al.
Page
of 13