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2002 |
Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
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Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization |
Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
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2005 |
The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization |
Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
|
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The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization |
Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
|
1 juny 2018 |
The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization |
|
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5 juny 2018 |
The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization |
Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
|
7 maig 2018 |
Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design |
Postils Ribó, Verònica
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Critical analysis and extension of the Hirshfeld atoms in molecules |
Bultinck, Patrick
; Van Alsenoy, Christian
; Ayers, Paul W.
; Carbó-Dorca, Ramon
|
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2007 |
Critical analysis and extension of the Hirshfeld atoms in molecules |
Bultinck, Patrick
; Alsenoy, Christian van
; Ayers, Paul W.
; Carbó-Dorca, Ramon
|
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1 juny 2018 |
Critical analysis and extension of the Hirshfeld atoms in molecules |
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5 juny 2018 |
Critical analysis and extension of the Hirshfeld atoms in molecules |
Bultinck, Patrick
; Alsenoy, Christian van
; Ayers, Paul W.
; Carbó-Dorca, Ramon
|
|
|
15 febrer 2020 |
Critical analysis and extension of the Hirshfeld atoms in molecules |
Bultinck, Patrick
; Alsenoy, Christian van
; Ayers, Paul W.
; Carbó-Dorca, Ramon
|
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9 octubre 2023 |
Density functional theory to the rescue of transition-metal chemistry |
Martins, Frederico F.
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Development of new tools for local electron distribution analysis |
Ramos-Cordoba, Eloy
|
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11 abril 2014 |
Development of new tools for local electron distribution analysis |
Ramos Cordoba, Eloy
|
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2006 |
Erratum: "The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization" [J. Chem Phys. 122, 014109 (2005)] |
Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
|
|
Erratum: "The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization" [J. Chem Phys. 122, 014109 (2005)] |
Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
|
|
Erratum: "The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization" [J. Chem Phys. 122, 014109 (2005)] |
Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
|
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Local spin analysis and chemical bonding |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
; Reiher, Markus
|
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4 novembre 2013 |
Local spin analysis and chemical bonding |
Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
; Reiher, Markus
|
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The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective |
Jenkins, Samantha
; Blancafort San José, Lluís
; Kirk, Steven R
; Bearpark, Michael J.
|
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2014 |
The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective |
Jenkins, Samantha
; Blancafort San José, Lluís
; Kirk, Steven R
; Bearpark, Michael J.
|
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2006 |
Selected configuration interaction with truncation energy error and application to the Ne atom |
Bunge, Carlos F.
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Selected configuration interaction with truncation energy error and application to the Ne atom |
Bunge, Carlos F.
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