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Physical Chemistry Chemical Physics : PCCP
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September 26, 2017
A topological study of chemical bonds under pressure: solid hydrogen as a model case
Vanessa Riffet, Vanessa Labet, Julia Contreras-García
The Journal of Chemical Physics
|
February 25, 2012
A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations
Vanessa Labet, Roald Hoffmann, N W Ashcroft
The Journal of Chemical Physics
|
February 25, 2012
A fresh look at dense hydrogen under pressure. III. Two competing effects and the resulting intra-molecular H-H separation in solid hydrogen under pressure
Vanessa Labet, Roald Hoffmann, N W Ashcroft
The Journal of Chemical Physics
|
February 25, 2012
A fresh look at dense hydrogen under pressure. IV. Two structural models on the road from paired to monatomic hydrogen, via a possible non-crystalline phase
Vanessa Labet, Roald Hoffmann, N W Ashcroft
The Journal of Physical Chemistry. A
|
May 11, 2022
Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism
Antoine Geoffroy-Neveux, Vanessa Labet, M Esmail Alikhani
Journal of Molecular Modeling
|
October 4, 2024
How to search for and reveal a hidden intermediate? The ELF topological description of non-synchronicity in double proton transfer reactions under oriented external electric field
Vanessa Labet, Antoine Geoffroy-Neveux, Mohammad Esmaïl Alikhani
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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 29, 2008
Deamination of the radical cation of the base moiety of 2'-deoxycytidine: a theoretical study
Vanessa Labet, André Grand, Jean Cadet, et al.
The Journal of Physical Chemistry. A
|
October 22, 2008
Theoretical study of cytosine deamination from the perspective of the reaction force analysis
Vanessa Labet, Christophe Morell, André Grand, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms
Vanessa Labet, Christophe Morell, Alejandro Toro-Labbé, et al.
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of 3
Search research articles
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Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2017
A topological study of chemical bonds under pressure: solid hydrogen as a model case
Vanessa Riffet, Vanessa Labet, Julia Contreras-García
The Journal of Chemical Physics
|
February 25, 2012
A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations
Vanessa Labet, Roald Hoffmann, N W Ashcroft
The Journal of Chemical Physics
|
February 25, 2012
A fresh look at dense hydrogen under pressure. III. Two competing effects and the resulting intra-molecular H-H separation in solid hydrogen under pressure
Vanessa Labet, Roald Hoffmann, N W Ashcroft
The Journal of Chemical Physics
|
February 25, 2012
A fresh look at dense hydrogen under pressure. IV. Two structural models on the road from paired to monatomic hydrogen, via a possible non-crystalline phase
Vanessa Labet, Roald Hoffmann, N W Ashcroft
The Journal of Physical Chemistry. A
|
May 11, 2022
Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism
Antoine Geoffroy-Neveux, Vanessa Labet, M Esmail Alikhani
Journal of Molecular Modeling
|
October 4, 2024
How to search for and reveal a hidden intermediate? The ELF topological description of non-synchronicity in double proton transfer reactions under oriented external electric field
Vanessa Labet, Antoine Geoffroy-Neveux, Mohammad Esmaïl Alikhani
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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 29, 2008
Deamination of the radical cation of the base moiety of 2'-deoxycytidine: a theoretical study
Vanessa Labet, André Grand, Jean Cadet, et al.
The Journal of Physical Chemistry. A
|
October 22, 2008
Theoretical study of cytosine deamination from the perspective of the reaction force analysis
Vanessa Labet, Christophe Morell, André Grand, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms
Vanessa Labet, Christophe Morell, Alejandro Toro-Labbé, et al.
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of 3