Computational chemistry
Llistar TÃtols per Matèria "Computational chemistry"
S'han trobat 19 Ãtems
Llistant Ãtems des de 0 a 19:
| Format | Data | TÃtol | Autor |
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| Format | Data | TÃtol | Autor |
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13 agost 2024 |
A benchmark study of dioxygen complexes based on coupled cluster and density functional theory |
Swart, Marcel
; Reimann, Marc
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7 maig 2018 |
Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design |
Postils Ribó, Verònica
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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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17 novembre 2017 |
Computational study of nuclear magnetic shielding constants |
Castro Aguilera, Abril Carolina
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27 març 2023 |
Development and application of new methodologies for chemical bonding analysis |
Gimferrer Andrés, MartÃ
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7 juliol 2006 |
Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity |
Matito i Gras, Eduard
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Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity |
Matito i Gras, Eduard
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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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10 desembre 2021 |
Enzymatic and bioinspired iron oxidation chemistry: a computational study |
D’Amore, Lorenzo
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juny 2022 |
Estudi de l’aromaticitat de reaccions pericÃcliques que involucren estats de transició de sis membres |
El Morabit, Saber
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14 maig 2024 |
Exploring the boundaries of aromaticity through computational analysis of excited states and complex molecular topologies |
Escayola Gordils, SÃlvia
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20 abril 2018 |
Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds |
Cassú PonsatÃ, Daniel
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30 setembre 2003 |
Single and multiple addition to C60. A computational chemistry study |
Cases Amat, Montserrat
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Single and multiple addition to C60. A computational chemistry study |
Cases Amat, Montserrat
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29 maig 2015 |
Structure and reactivity of endohedral (metallo)fullerenes |
Garcia Borrà s, Marc
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Structure and reactivity of endohedral (metallo)fullerenes |
Garcia Borrà s, Marc
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26 març 2010 |
Theoretical studies of the exohedral reactivity of fullerene compounds |
Osuna Oliveras, SÃlvia
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Theoretical studies of the exohedral reactivity of fullerene compounds |
Osuna Oliveras, SÃlvia
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