Computational chemistry

Listing items with Subject "Computational chemistry"

14 items found

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2018 May 7 Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design Postils RibĂł, VerĂČnica
doc icon DUGiDocs 2020 January 14 Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals RoldĂĄn GĂłmez, Steven
doc icon DUGiDocs 2017 November 17 Computational study of nuclear magnetic shielding constants Castro Aguilera, Abril Carolina
doc icon DUGiDocs 2006 July 7 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 2010 October 21 Dihydrogen bonds: a study Hugas GermĂ , David
out url icon Recercat Dihydrogen bonds: a study Hugas GermĂ , David
doc icon DUGiDocs 2018 April 20 Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds CassĂș PonsatĂ­, Daniel
doc icon DUGiDocs 2003 September 30 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 2015 May 29 Structure and reactivity of endohedral (metallo)fullerenes Garcia BorrĂ s, Marc
out url icon Recercat Structure and reactivity of endohedral (metallo)fullerenes Garcia BorrĂ s, Marc
doc icon DUGiDocs 2010 March 26 Theoretical studies of the exohedral reactivity of fullerene compounds Osuna Oliveras, SĂ­lvia
out url icon Recercat Theoretical studies of the exohedral reactivity of fullerene compounds Osuna Oliveras, SĂ­lvia
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