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Physical Chemistry Chemical Physics : PCCP
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April 16, 2024
Hemicellulose pyrolysis: mechanism and kinetics of functionalized xylopyranose
Leandro Ayarde-Henríquez, Jacopo Lupi, Stephen Dooley
Journal of Computational Chemistry
|
June 13, 2025
Xylopyranose Ring-Opening by Single and Double Proton Transfers Under Pyrolysis Conditions
Jacopo Lupi, Bernardo Ballotta, Leandro Ayarde-Henríquez, et al.
Journal of Molecular Modeling
|
January 13, 2025
Towards a unified fold-cusp model for bond polarity scaling: electron rearrangements in the pyrolytic isomerization of cubane to cyclooctatetraene
Leandro Ayarde-Henríquez, Cristian Guerra, Patricia Pérez, et al.
The Journal of Physical Chemistry. A
|
February 1, 2024
Ab Initio and Kinetic Modeling of β-d-Xylopyranose under Fast Pyrolysis Conditions
Jacopo Lupi, Leandro Ayarde-Henríquez, Mark Kelly, et al.
The Journal of Physical Chemistry. A
|
May 14, 2025
Evans-Polanyi-like Formulations for Rapidly Predicting Key Depolymerization Barriers in Xylopyranoses: Toward the Faster Development of Kinetic Models for Hemicellulose Pyrolysis
Leandro Ayarde-Henríquez, Jacopo Lupi, Bernardo Ballotta, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 26, 2024
<i>Ab initio</i> conformational analysis of α/β-D-xylopyranose at pyrolysis conditions
Bernardo Ballotta, Jacopo Lupi, Leandro Ayarde-Henríquez, et al.
The Journal of Physical Chemistry. A
|
July 23, 2024
Formulating Reduced Density Gradient Approaches for Noncovalent Interactions
Cristian Guerra, José Burgos, Leandro Ayarde-Henríquez, et al.
The Journal of Physical Chemistry. A
|
December 20, 2021
On Electron Pair Rearrangements in Photochemical Reactions: 1,3-Cyclohexadiene Ring Opening
Cristian Guerra, Leandro Ayarde-Henríquez, Mario Duque-Noreña, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 11, 2022
Photochemically Induced 1,3-Butadiene Ring-Closure from the Topological Analysis of the Electron Localization Function Viewpoint
Cristian Guerra, Leandro Ayarde-Henríquez, Mario Duque-Noreña, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Revisiting the bonding evolution theory: a fresh perspective on the ammonia pyramidal inversion and bond dissociations in ethane and borazane
Leandro Ayarde-Henríquez, Cristian Guerra, Mario Duque-Noreña, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
April 16, 2024
Hemicellulose pyrolysis: mechanism and kinetics of functionalized xylopyranose
Leandro Ayarde-Henríquez, Jacopo Lupi, Stephen Dooley
Journal of Computational Chemistry
|
June 13, 2025
Xylopyranose Ring-Opening by Single and Double Proton Transfers Under Pyrolysis Conditions
Jacopo Lupi, Bernardo Ballotta, Leandro Ayarde-Henríquez, et al.
Journal of Molecular Modeling
|
January 13, 2025
Towards a unified fold-cusp model for bond polarity scaling: electron rearrangements in the pyrolytic isomerization of cubane to cyclooctatetraene
Leandro Ayarde-Henríquez, Cristian Guerra, Patricia Pérez, et al.
The Journal of Physical Chemistry. A
|
February 1, 2024
Ab Initio and Kinetic Modeling of β-d-Xylopyranose under Fast Pyrolysis Conditions
Jacopo Lupi, Leandro Ayarde-Henríquez, Mark Kelly, et al.
The Journal of Physical Chemistry. A
|
May 14, 2025
Evans-Polanyi-like Formulations for Rapidly Predicting Key Depolymerization Barriers in Xylopyranoses: Toward the Faster Development of Kinetic Models for Hemicellulose Pyrolysis
Leandro Ayarde-Henríquez, Jacopo Lupi, Bernardo Ballotta, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 26, 2024
<i>Ab initio</i> conformational analysis of α/β-D-xylopyranose at pyrolysis conditions
Bernardo Ballotta, Jacopo Lupi, Leandro Ayarde-Henríquez, et al.
The Journal of Physical Chemistry. A
|
July 23, 2024
Formulating Reduced Density Gradient Approaches for Noncovalent Interactions
Cristian Guerra, José Burgos, Leandro Ayarde-Henríquez, et al.
The Journal of Physical Chemistry. A
|
December 20, 2021
On Electron Pair Rearrangements in Photochemical Reactions: 1,3-Cyclohexadiene Ring Opening
Cristian Guerra, Leandro Ayarde-Henríquez, Mario Duque-Noreña, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 11, 2022
Photochemically Induced 1,3-Butadiene Ring-Closure from the Topological Analysis of the Electron Localization Function Viewpoint
Cristian Guerra, Leandro Ayarde-Henríquez, Mario Duque-Noreña, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Revisiting the bonding evolution theory: a fresh perspective on the ammonia pyramidal inversion and bond dissociations in ethane and borazane
Leandro Ayarde-Henríquez, Cristian Guerra, Mario Duque-Noreña, et al.
Page
of 3