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The Journal of Physical Chemistry. A
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July 13, 2006
Comparison of the AIM delocalization index and the Mayer and fuzzy atom bond orders
Eduard Matito, Jordi Poater, Miquel Solà, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Electron Localization Function at the Correlated Level: A Natural Orbital Formulation
Ferran Feixas, Eduard Matito, Miquel Duran, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2023
Pitfall in simulations of vibronic TD-DFT spectra: diagnosis and assessment
Sebastian P Sitkiewicz, Eduard Matito, Josep M Luis, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 5, 2011
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
Ferran Feixas, Jelle Vandenbussche, Patrick Bultinck, et al.
The Journal of Physical Chemistry. A
|
October 6, 2006
Analysis of electron delocalization in aromatic systems: individual molecular orbital contributions to para-delocalization indexes (PDI)
Mireia Güell, Eduard Matito, Josep M Luis, et al.
The Journal of Physical Chemistry. A
|
May 26, 2021
How Many Electrons Does a Molecular Electride Hold?
Sebastian P Sitkiewicz, Eloy Ramos-Cordoba, Josep M Luis, et al.
The Journal of Physical Chemistry Letters
|
July 6, 2019
Singling Out Dynamic and Nondynamic Correlation
Mireia Via-Nadal, Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 29, 2024
The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization Indices
Rafael Grande-Aztazi, Eduard Matito, Jesus M Ugalde, et al.
Molecules (Basel, Switzerland)
|
February 13, 2020
How do the Hückel and Baird Rules Fade away in Annulenes?
Irene Casademont-Reig, Eloy Ramos-Cordoba, Miquel Torrent-Sucarrat, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 6, 2019
Partition of optical properties into orbital contributions
Sebastian P Sitkiewicz, Mauricio Rodríguez-Mayorga, Josep M Luis, et al.
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of 10
Search research articles
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Showing results (41-50 of 99) with videos related to
Sort By:
Page
of 10
The Journal of Physical Chemistry. A
|
July 13, 2006
Comparison of the AIM delocalization index and the Mayer and fuzzy atom bond orders
Eduard Matito, Jordi Poater, Miquel Solà, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Electron Localization Function at the Correlated Level: A Natural Orbital Formulation
Ferran Feixas, Eduard Matito, Miquel Duran, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2023
Pitfall in simulations of vibronic TD-DFT spectra: diagnosis and assessment
Sebastian P Sitkiewicz, Eduard Matito, Josep M Luis, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 5, 2011
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds
Ferran Feixas, Jelle Vandenbussche, Patrick Bultinck, et al.
The Journal of Physical Chemistry. A
|
October 6, 2006
Analysis of electron delocalization in aromatic systems: individual molecular orbital contributions to para-delocalization indexes (PDI)
Mireia Güell, Eduard Matito, Josep M Luis, et al.
The Journal of Physical Chemistry. A
|
May 26, 2021
How Many Electrons Does a Molecular Electride Hold?
Sebastian P Sitkiewicz, Eloy Ramos-Cordoba, Josep M Luis, et al.
The Journal of Physical Chemistry Letters
|
July 6, 2019
Singling Out Dynamic and Nondynamic Correlation
Mireia Via-Nadal, Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 29, 2024
The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization Indices
Rafael Grande-Aztazi, Eduard Matito, Jesus M Ugalde, et al.
Molecules (Basel, Switzerland)
|
February 13, 2020
How do the Hückel and Baird Rules Fade away in Annulenes?
Irene Casademont-Reig, Eloy Ramos-Cordoba, Miquel Torrent-Sucarrat, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 6, 2019
Partition of optical properties into orbital contributions
Sebastian P Sitkiewicz, Mauricio Rodríguez-Mayorga, Josep M Luis, et al.
Page
of 10