Computational chemistry
Listing items with Subject "Computational chemistry"
17 items found
Showing titles from 0 to 17:
| Format | Date | Title | Author |
|---|
| Format | Date | Title | Author |
|---|
|
2018 May 7 |
Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design |
Postils Ribó, Verònica
|
|
|
2020 January 14 |
Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals |
Roldán Gómez, Steven
|
|
|
2017 November 17 |
Computational study of nuclear magnetic shielding constants |
Castro Aguilera, Abril Carolina
|
|
2023 March 27 |
Development and application of new methodologies for chemical bonding analysis |
Gimferrer Andrés, MartÃ
|
|
|
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
|
|
|
|
Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity |
Matito i Gras, Eduard
|
|
|
2010 October 21 |
Dihydrogen bonds: a study |
Hugas Germà , David
|
|
|
|
Dihydrogen bonds: a study |
Hugas Germà , David
|
|
|
2021 December 10 |
Enzymatic and bioinspired iron oxidation chemistry: a computational study |
D’Amore, Lorenzo
|
|
|
2022 June |
Estudi de l’aromaticitat de reaccions pericÃcliques que involucren estats de transició de sis membres |
El Morabit, Saber
|
|
|
2018 April 20 |
Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds |
Cassú PonsatÃ, Daniel
|
|
|
2003 September 30 |
Single and multiple addition to C60. A computational chemistry study |
Cases Amat, Montserrat
|
|
|
|
Single and multiple addition to C60. A computational chemistry study |
Cases Amat, Montserrat
|
|
|
2015 May 29 |
Structure and reactivity of endohedral (metallo)fullerenes |
Garcia Borrà s, Marc
|
|
|
|
Structure and reactivity of endohedral (metallo)fullerenes |
Garcia Borrà s, Marc
|
|
|
2010 March 26 |
Theoretical studies of the exohedral reactivity of fullerene compounds |
Osuna Oliveras, SÃlvia
|
|
|
|
Theoretical studies of the exohedral reactivity of fullerene compounds |
Osuna Oliveras, SÃlvia
|
