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Aplicació de la semblança molecular quàntica en la reducció de l’espai configuracional per a l’estat fonamental i primers excitats de l’àtom d’Heli |
Carbó-Dorca, Ramon
; Bach, A.
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2000 |
Aplicació de la semblança molecular quàntica en la reducció de l’espai configuracional per a l’estat fonamental i primers excitats de l’àtom d’Heli |
Carbó-Dorca, Ramon
; Bach, Albert
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Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
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Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
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1 juny 2018 |
Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
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5 juny 2018 |
Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
|
|
5 juny 2016 |
Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
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|
2009 |
Effective atomic orbitals for fuzzy atoms |
Mayer, István
; Salvador Sedano, Pedro
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Effective atomic orbitals for fuzzy atoms |
Mayer, István
; Salvador Sedano, Pedro
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Electron Localization Function at the Correlated Level: A Natural Orbital Formulation |
Feixas Geronès, Ferran
; Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
; Silvi, Bernard
|
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2010 |
Electron Localization Function at the Correlated Level: A Natural Orbital Formulation |
Feixas Geronès, Ferran
; Matito i Gras, Eduard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
; Silvi, Bernard
|
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2004 |
Energy partitioning for "fuzzy" atoms |
Salvador Sedano, Pedro
; Mayer, István
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Energy partitioning for "fuzzy" atoms |
Salvador Sedano, Pedro
; Mayer, István
|
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2005 |
Estimates of electronic coupling for excess electron transfer in DNA |
Voityuk, Alexander A.
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Estimates of electronic coupling for excess electron transfer in DNA |
Voityuk, Alexander A.
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Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
|
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|
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Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
|
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1 juny 2018 |
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
|
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5 juny 2018 |
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
|
|
|
2012 |
Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch |
Torrent Sucarrat, Miquel
; Anglada, Josep M.
; Luis Luis, Josep Maria
|
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1996 |
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? |
Simon i Rabasseda, Sílvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
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How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? |
Simon i Rabasseda, Sílvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
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2003 |
Negative Fukui functions: new insights based on electronegativity equalization |
Bultinck, Patrick
; Carbó-Dorca, Ramon
; Langenaeker, Wilfried
|
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Negative Fukui functions: new insights based on electronegativity equalization |
Bultinck, Patrick
; Carbó-Dorca, Ramon
; Langenaeker, Wilfried
|
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One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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