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DUGi: Llistar Títols | dc.subject:"Computational chemistry" | 0 - 18


Llistar Títols

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doc icon DUGiDocs 7 maig 2018 Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design Postils Ribó, Verònica
doc icon DUGiDocs 14 gener 2020 Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals Roldán Gómez, Steven
doc icon DUGiDocs 17 novembre 2017 Computational study of nuclear magnetic shielding constants Castro Aguilera, Abril Carolina
out url icon DUGiDocs 27 març 2023 Development and application of new methodologies for chemical bonding analysis Gimferrer Andrés, Martí
doc icon DUGiDocs 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
out url icon Recercat Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
doc icon DUGiDocs 21 octubre 2010 Dihydrogen bonds: a study Hugas Germà, David
out url icon Recercat Dihydrogen bonds: a study Hugas Germà, David
doc icon DUGiDocs 10 desembre 2021 Enzymatic and bioinspired iron oxidation chemistry: a computational study D’Amore, Lorenzo
out url icon DUGiDocs 14 maig 2024 Exploring the boundaries of aromaticity through computational analysis of excited states and complex molecular topologies Escayola Gordils, Sílvia
out url icon DUGiDocs 20 maig 2024 Oriented external electric fields in chemistry: development and application of new methods to simulate molecular response properties and reactivity Besalú Sala, Pau
doc icon DUGiDocs 20 abril 2018 Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds Cassú Ponsatí, Daniel
doc icon DUGiDocs 30 setembre 2003 Single and multiple addition to C60. A computational chemistry study Cases Amat, Montserrat
out url icon Recercat Single and multiple addition to C60. A computational chemistry study Cases Amat, Montserrat
doc icon DUGiDocs 29 maig 2015 Structure and reactivity of endohedral (metallo)fullerenes Garcia Borràs, Marc
out url icon Recercat Structure and reactivity of endohedral (metallo)fullerenes Garcia Borràs, Marc
doc icon DUGiDocs 26 març 2010 Theoretical studies of the exohedral reactivity of fullerene compounds Osuna Oliveras, Sílvia
out url icon Recercat Theoretical studies of the exohedral reactivity of fullerene compounds Osuna Oliveras, Sílvia
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Matèries


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Autors


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