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juny 2013 |
Electronic effects on single-site iron catalysts for water oxidation |
Codolà Duch, Zoel
; Garcia Bosch, Isaac
; Acuña-Parés, Ferran
; Prat Casellas, Irene
; Luis Luis, Josep Maria
; Costas Salgueiro, Miquel
; Lloret Fillol, Julio
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2010 |
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zalésny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zalésny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zalésny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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5 juny 2018 |
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zaleśny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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15 febrer 2020 |
Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene |
Zaleśny, Robert
; Bulik, Ireneusz W.
; Bartkowiak, Wojciech
; Luis Luis, Josep Maria
; Avramopoulos, Aggelos
; Papadopoulos, Manthos G.
; Krawczyk, Przemyslaw
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Electronic and vibrational nonlinear optical properties of five representative electrides |
Garcia Borrà s, Marc
; Solà i Puig, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
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14 agost 2012 |
Electronic and vibrational nonlinear optical properties of five representative electrides |
Garcia Borrà s, Marc
; Solà i Puig, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
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juny 2017 |
Entenent el comportament errà tic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals |
Montilla Busquets, Marc
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Entenent el comportament errà tic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals |
Montilla Busquets, Marc
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juliol 2023 |
Estudi computacional de la γ-lactonització esteroselectiva d’enllaços C-H catalitzada per complexes de Mn |
Gasulla i Rabionet, Jan
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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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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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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
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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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The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity |
Garcia Borrà s, Marc
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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2012 |
The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity |
Garcia Borrà s, Marc
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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2001 |
Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Kirtman, Bernard
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Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Kirtman, Bernard
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1999 |
Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Andrés, José LuÃs
; Champagne, Benoît
; Kirtman, Bernard
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Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Andrés, José LuÃs
; Champagne, Benoît
; Kirtman, Bernard
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The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia Borrà s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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2012 |
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia Borrà s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia Borrà s, Marc
; Solà i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert C.
; Luis Luis, Josep Maria
; Kirtman, Bernard
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2013 |
A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia Borrà s, Marc
; Solà i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert
; Luis Luis, Josep Maria
; Kirtman, Bernard
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