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Inorganic Chemistry
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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.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness
Christophe Morell, Vanessa Labet, André Grand, et al.
The Journal of Physical Chemistry. A
|
September 3, 2025
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle
Olivier Aroule, Christophe Morell, Henry Chermette, et al.
The Journal of Physical Chemistry. A
|
September 29, 2006
Structural and electronic analysis of lanthanide complexes: reactivity may not necessarily be independent of the identity of the lanthanide atom--a DFT study
Sandra Schinzel, Martin Bindl, Marc Visseaux, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 3, 2003
Discrimination of sigma-bond metathesis pathways in H/D exchange reactions on [(identical to SiO)3Zr-H]: a density functional theory study
Christophe Copéret, Annie Grouiller, Jean-Marie Basset, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2009
Assessment of theoretical prediction of the NMR shielding tensor of 195PtClxBr(6-x)(2-) complexes by DFT calculations: experimental and computational results
Emmanuel Penka Fowe, Peter Belser, Claude Daul, et al.
Journal of Computational Chemistry
|
May 1, 2021
A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde
Abdelmalek Khorief Nacereddine, Lynda Merzoud, Christophe Morell, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 2, 2006
Insertion reaction of carbon dioxide into Sn-OR bond. Synthesis, structure and DFT calculations of di- and tetranuclear isopropylcarbonato tin(IV) complexes
Danielle Ballivet-Tkatchenko, Henry Chermette, Laurent Plasseraud, et al.
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Search research articles
Search
Showing results (11-20 of 72) with videos related to
Sort By:
Page
of 8
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.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness
Christophe Morell, Vanessa Labet, André Grand, et al.
The Journal of Physical Chemistry. A
|
September 3, 2025
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle
Olivier Aroule, Christophe Morell, Henry Chermette, et al.
The Journal of Physical Chemistry. A
|
September 29, 2006
Structural and electronic analysis of lanthanide complexes: reactivity may not necessarily be independent of the identity of the lanthanide atom--a DFT study
Sandra Schinzel, Martin Bindl, Marc Visseaux, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 3, 2003
Discrimination of sigma-bond metathesis pathways in H/D exchange reactions on [(identical to SiO)3Zr-H]: a density functional theory study
Christophe Copéret, Annie Grouiller, Jean-Marie Basset, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2009
Assessment of theoretical prediction of the NMR shielding tensor of 195PtClxBr(6-x)(2-) complexes by DFT calculations: experimental and computational results
Emmanuel Penka Fowe, Peter Belser, Claude Daul, et al.
Journal of Computational Chemistry
|
May 1, 2021
A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde
Abdelmalek Khorief Nacereddine, Lynda Merzoud, Christophe Morell, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 2, 2006
Insertion reaction of carbon dioxide into Sn-OR bond. Synthesis, structure and DFT calculations of di- and tetranuclear isopropylcarbonato tin(IV) complexes
Danielle Ballivet-Tkatchenko, Henry Chermette, Laurent Plasseraud, et al.
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of 8