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S'han trobat 72826 ítems
Llistant ítems des de 20025 a 20050:
| Format | Data | Títol | Autor |
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| Format | Data | Títol | Autor |
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7 juliol 2023 |
Computational exploration and design of HHDH variants with novel synthetically useful functionalities |
Estévez-Gay, Miquel
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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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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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1 juny 2018 |
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent |
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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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6 juliol 2010 |
Computationally efficient and accurate dispersion correction for density functional theory |
Grimme, Stefan
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30 juliol 2007 |
Computationally reliable approaches of contractive MPC for discrete-time systems |
Wan, Jian
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30 juliol 2007 |
Computationally reliable approaches of contractive MPC for discrete-time systems |
Wan, Jian
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Computationally reliable approaches of contractive MPC for discrete-time systems |
Wan, Jian
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14 gener 2020 |
Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals |
Roldán Gómez, Steven
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26 setembre 2022 |
A computational micromechanics investigation of longitudinal strength in unidirectional fibre reinforced composites |
Barzegar, Mostafa
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22 juny 2012 |
Computational modeling of charge transfer in nucleobase-aromatic amino acid complexes |
Butchosa Robles, Cristina
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22 juny 2012 |
Computational modeling of charge transfer in nucleobase-aromatic amino acid complexes |
Butchosa Robles, Cristina
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Computational modeling of charge transfer in nucleobase-aromatic amino acid complexes |
Butchosa Robles, Cristina
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6 juliol 2010 |
Computational modeling of hole transfer in DNA-protein complexes |
Butchosa, Cristina
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2 juny 2023 |
Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes |
Calvó-Tusell, Carla
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25 abril 2025 |
Computational study and design of materials for photovoltaic applications |
George, Gibu
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12 febrer 2021 |
Computational studies of the conformational landscape of allosteric and enantioselective enzymes |
María Solano, Miguel Ángel
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18 desembre 2018 |
Computational studies of enzymatic and biomimetic catalysts |
Romero Rivera, Adrian
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20 juliol 2022 |
Computational studies of epoxide hydrolase-catalyzed ring-opening reactions |
Serrano Hervás, Eila
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26 març 2021 |
Computational studies oriented towards the development of a greener chemistry |
Luque Urrutia, Jesús Antonio
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1 juny 2018 |
A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson’s Catalyst |
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