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5 juny 2018 |
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent |
Postils, Verònica
; Company Casadevall, Anna
; Solà i Puig, Miquel
; Costas Salgueiro, Miquel
; Luis Luis, Josep Maria
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2015 |
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent |
Postils Ribó, Verònica
; Company Casadevall, Anna
; Solà i Puig, Miquel
; Costas Salgueiro, Miquel
; Luis Luis, Josep Maria
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Computational insight into Wilkinson’s complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation |
Torres Antón, Òscar
; Roglans i Ribas, Anna
; Pla i Quintana, Anna
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
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1 octubre 2014 |
Computational insight into Wilkinson’s complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation |
Torres Antón, Òscar
; Roglans i Ribas, Anna
; Pla i Quintana, Anna
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
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Computational study of the spin-state energies and UV-Vis spectra of bis (1,4,7-triazacyclononane) complexes of some first-row transition metal cations |
Zlatar, Matija
; Gruden-Pavlović, Maja
; Güell Serra, Mireia
; Swart, Marcel
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2013 |
Computational study of the spin-state energies and UV-Vis spectra of bis (1,4,7-triazacyclononane) complexes of some first-row transition metal cations |
Zlatar, Matija
; Gruden-Pavlović, Maja
; Güell Serra, Mireia
; Swart, Marcel
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Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials |
Reis, Heribert C.
; Luis Luis, Josep Maria
; Garcia Borrà s, Marc
; Kirtman, Bernard
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14 gener 2014 |
Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials |
Reis, Heribert
; Luis Luis, Josep Maria
; Garcia Borrà s, Marc
; Kirtman, Bernard
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Computer-aided image geometry analysis and subset selection for optimizing texture quality in photorealistic models |
Sima, Aleksandra Anna
; Bonaventura Brugués, Xavier
; Feixas Feixas, Miquel
; Sbert, Mateu
; Howell, John Anthony
; Viola, Ivan
; Buckley, Simon John
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2013 |
Computer-aided image geometry analysis and subset selection for optimizing texture quality in photorealistic models |
Sima, Aleksandra Anna
; Bonaventura Brugués, Xavier
; Feixas Feixas, Miquel
; Sbert, Mateu
; Howell, John Anthony
; Viola, Ivan
; Buckley, Simon John
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A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene |
Li, Quansong
; Blancafort San José, LluÃs
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2013 |
A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene |
Li, Quansong
; Blancafort San José, LluÃs
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Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps |
Ruiz-Barragán, Sergi
; Robb, Michael A.
; Blancafort San José, LluÃs
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2013 |
Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps |
Ruiz-Barragán, Sergi
; Robb, Michael A.
; Blancafort San José, LluÃs
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Conical intersection optimization using composed steps inside the ONIOM(QM:MM) scheme: CASSCF:UFF implementation with microiterations |
Ruiz-Barragán, Sergi
; Morokuma, Keiji
; Blancafort San José, LluÃs
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14 abril 2015 |
Conical intersection optimization using composed steps inside the ONIOM(QM:MM) scheme: CASSCF:UFF implementation with microiterations |
Ruiz-Barragán, Sergi
; Morokuma, Keiji
; Blancafort San José, LluÃs
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Contribution to the knowledge of the distribution of Chaoborus species (Diptera: Chaoboridae) in the NE Iberian Peninsula, with notes on the spatial and temporal segregation among them |
Arranz, Ignasi
; Sala Genoher, Jordi
; Gascón Garcia, Stéphanie
; Ruhà i Vidal, Albert
; Quintana Pou, Xavier
; Amoedo, Joan
; Martinoy, Mònica
; Boix Masafret, Dani
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2015 |
Contribution to the knowledge of the distribution of Chaoborus species (Diptera: Chaoboridae) in the NE Iberian Peninsula, with notes on the spatial and temporal segregation among them |
Arranz, Ignasi
; Sala Genoher, Jordi
; Gascón Garcia, Stéphanie
; Ruhà i Vidal, Albert
; Quintana Pou, Xavier
; Amoedo Cibeira, Joan
; Martinoy, Mònica
; Boix Masafret, Dani
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Controlling struvite particles’ size using the up-flow velocity |
Tarragó Abella, Elena
; Puig Broch, SebastiÃ
; Ruscalleda Beylier, Maël
; Balaguer i Condom, Maria Dolors
; Colprim Galceran, Jesús
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Corrigendum: Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability (Chemistry - A European Journal (2013) 19 DOI:10.1002/chem.201203517) |
Garcia Borrà s, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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22 juliol 2013 |
Corrigendum: Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability (Chemistry - A European Journal (2013) 19 DOI:10.1002/chem.201203517) |
Garcia Borrà s, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity |
Solà i Puig, Miquel
; Feixas Geronès, Ferran
; Jiménez Halla, José Óscar Carlos
; Matito i Gras, Eduard
; Poater i Teixidor, Jordi
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1 juny 2018 |
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity |
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5 juny 2018 |
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity |
Solà i Puig, Miquel
; Feixas Geronès, Ferran
; Jiménez Halla, José Óscar Carlos
; Matito i Gras, Eduard
; Poater i Teixidor, Jordi
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15 febrer 2020 |
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity |
Solà i Puig, Miquel
; Feixas Geronès, Ferran
; Jiménez Halla, José Óscar Carlos
; Matito i Gras, Eduard
; Poater i Teixidor, Jordi
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