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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.
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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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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
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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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2006 |
Cuestionada la interpretación de Bader sobre el significado de los puntos crÃticos de enlace |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Bickelhaupt, Friedrich Matthias
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Cuestionada la interpretación de Bader sobre el significado de los puntos crÃticos de enlace |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
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Cuestionada la interpretación de Bader sobre el significado de los puntos crÃticos de enlace |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
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1 juny 2018 |
Cuestionada la interpretación de Bader sobre el significado de los puntos crÃticos de enlace |
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5 juny 2018 |
Cuestionada la interpretación de Bader sobre el significado de los puntos crÃticos de enlace |
Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
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2004 |
The curvature of the conical intersection seam: an approximate second-order analysis |
Paterson, Martin J.
; Bearpark, Michael J.
; Robb, Michael A.
; Blancafort San José, LluÃs
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The curvature of the conical intersection seam: an approximate second-order analysis |
Paterson, Martin J.
; Bearpark, Michael J.
; Robb, Michael A.
; Blancafort San José, LluÃs
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2005 |
Density functional energy decomposition into one- and two-atom contributions |
Vyboishchikov, Sergei F.
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
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Density functional energy decomposition into one- and two-atom contributions |
Vyboishchikov, Sergei F.
; Salvador Sedano, Pedro
; Duran i Portas, Miquel
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9 octubre 2023 |
Density functional theory to the rescue of transition-metal chemistry |
Martins, Frederico F.
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2000 |
Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Champagne, Benoît
; Kirtman, Bernard
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Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Champagne, Benoît
; Kirtman, Bernard
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16 juliol 2020 |
Development of advanced methods to characterise the fracture behaviour of flexible bonded joints |
Manterola Najera, Julen
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27 març 2023 |
Development and application of new methodologies for chemical bonding analysis |
Gimferrer Andrés, MartÃ
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21 octubre 2010 |
Dihydrogen bonds: a study |
Hugas Germà , David
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Dihydrogen bonds: a study |
Hugas Germà , David
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