544
Listing items with Subject "544"
44 items found
Showing titles from 0 to 25:
| Format | Date | Title | Author |
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| Format | Date | Title | Author |
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2010 February 5 |
Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine |
Asturiol Bofill, David
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Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine |
Asturiol Bofill, David
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2023 March 8 |
Bioelectrochemical systems for ammonium removal in contaminated water |
Osset 脕lvarez, Miguel
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2023 July 7 |
Computational exploration and design of HHDH variants with novel synthetically useful functionalities |
Est茅vez-Gay, Miquel
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2023 June 2 |
Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes |
Calv贸-Tusell, Carla
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2021 February 12 |
Computational studies of the conformational landscape of allosteric and enantioselective enzymes |
Mar铆a Solano, Miguel 脕ngel
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2018 December 18 |
Computational studies of enzymatic and biomimetic catalysts |
Romero Rivera, Adrian
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2022 July 20 |
Computational studies of epoxide hydrolase-catalyzed ring-opening reactions |
Serrano Herv谩s, Eila
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2021 March 26 |
Computational studies oriented towards the development of a greener chemistry |
Luque Urrutia, Jes煤s Antonio
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1997 May 16 |
Desenvolupament computacional de la semblan莽a molecular qu脿ntica |
Constans Nierga, Pere
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Desenvolupament computacional de la semblan莽a molecular qu脿ntica |
Constans Nierga, Pere
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2004 June 11 |
Desenvolupament, implementaci贸 i aplicaci贸 de noves metodologies per a l鈥檈studi de la reactivitat qu铆mica i de les propietats 貌ptiques no lineals |
Torrent Sucarrat, Miquel
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Desenvolupament, implementaci贸 i aplicaci贸 de noves metodologies per a l鈥檈studi de la reactivitat qu铆mica i de les propietats 貌ptiques no lineals |
Torrent Sucarrat, Miquel
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1999 June 28 |
Desenvolupament, implementaci贸 i aplicaci贸 de nova metodologia pel c脿lcul de la contribuci贸 vibracional a les propietats el猫ctriques: contribucions de relaxaci贸 nuclear i curvatura |
Luis Luis, Josep Maria
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Desenvolupament, implementaci贸 i aplicaci贸 de nova metodologia pel c脿lcul de la contribuci贸 vibracional a les propietats el猫ctriques: contribucions de relaxaci贸 nuclear i curvatura |
Luis Luis, Josep Maria
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2023 March 27 |
Development and application of new methodologies for chemical bonding analysis |
Gimferrer Andr茅s, Mart铆
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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
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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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Development of new tools for local electron distribution analysis |
Ramos-Cordoba, Eloy
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2014 April 11 |
Development of new tools for local electron distribution analysis |
Ramos Cordoba, Eloy
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2024 June 4 |
Electrochemical degradation of per- and polyfluoroalkyl substances (PFAS) using innovative graphene-based nanostructered materials |
Duinslaeger, Nick
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2023 March 13 |
Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis |
Curado Carballada, Christian
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2003 June 2 |
Estructura computacional i aplicacions de la semblan莽a molecular qu脿ntica |
Amat Barn茅s, Llu铆s
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Estructura computacional i aplicacions de la semblan莽a molecular qu脿ntica |
Amat Barn茅s, Llu铆s
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2024 May 14 |
Exploring the boundaries of aromaticity through computational analysis of excited states and complex molecular topologies |
Escayola Gordils, S铆lvia
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