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Marcel Swart

Showing results (61-70 of 123) with videos related to

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Journal of Molecular Modeling|September 18, 2007
Pi-pi stacking tackled with density functional theoryMarcel Swart, Tushar van der Wijst, Célia Fonseca Guerra, et al.
Chemical Communications (Cambridge, England)|January 14, 2012
Product formation in the Prato reaction on Sc3N@D(5h)-C80: preference for [5,6]-bonds, and not pyracylenic bondsSílvia Osuna, Antonio Rodríguez-Fortea, Josep M Poblet, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 22, 2009
Homolytic versus heterolytic dissociation of alkalimetal halides: the effect of microsolvationSílvia Osuna, Marcel Swart, Evert Jan Baerends, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2012
The exohedral Diels-Alder reactivity of the titanium carbide endohedral metallofullerene Ti2C2@D(3h)-C78: comparison with D(3h)-C78 and M3N@D(3h)-C78 (M=Sc and Y) reactivityMarc Garcia-Borràs, Sílvia Osuna, Josep M Luis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 17, 2013
A complete guide on the influence of metal clusters in the Diels-Alder regioselectivity of I(h)-C80 endohedral metallofullerenesMarc Garcia-Borràs, Sílvia Osuna, Josep M Luis, et al.
Chemical Communications (Cambridge, England)|January 4, 2013
Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticityMarc Garcia-Borràs, Sílvia Osuna, Marcel Swart, et al.
Angewandte Chemie (International Ed. in English)|July 12, 2013
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenesMarc Garcia-Borràs, Sílvia Osuna, Marcel Swart, et al.
Journal of the American Chemical Society|April 17, 2008
Chemical reactivity of D3h C78 (metallo)fullerene: regioselectivity changes induced by Sc3N encapsulationSílvia Osuna, Marcel Swart, Josep M Campanera, et al.
Chemical Society Reviews|May 17, 2014
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenesMarc Garcia-Borràs, Sílvia Osuna, Josep M Luis, et al.
Inorganic Chemistry|November 21, 2013
Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: a density functional theory studyStepan Stepanović, Ljubica Andjelković, Matija Zlatar, et al.
Pageof 13

Showing results (61-70 of 123) with videos related to

Sort By:
Pageof 13
Journal of Molecular Modeling|September 18, 2007
Pi-pi stacking tackled with density functional theoryMarcel Swart, Tushar van der Wijst, Célia Fonseca Guerra, et al.
Chemical Communications (Cambridge, England)|January 14, 2012
Product formation in the Prato reaction on Sc3N@D(5h)-C80: preference for [5,6]-bonds, and not pyracylenic bondsSílvia Osuna, Antonio Rodríguez-Fortea, Josep M Poblet, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 22, 2009
Homolytic versus heterolytic dissociation of alkalimetal halides: the effect of microsolvationSílvia Osuna, Marcel Swart, Evert Jan Baerends, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2012
The exohedral Diels-Alder reactivity of the titanium carbide endohedral metallofullerene Ti2C2@D(3h)-C78: comparison with D(3h)-C78 and M3N@D(3h)-C78 (M=Sc and Y) reactivityMarc Garcia-Borràs, Sílvia Osuna, Josep M Luis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 17, 2013
A complete guide on the influence of metal clusters in the Diels-Alder regioselectivity of I(h)-C80 endohedral metallofullerenesMarc Garcia-Borràs, Sílvia Osuna, Josep M Luis, et al.
Chemical Communications (Cambridge, England)|January 4, 2013
Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticityMarc Garcia-Borràs, Sílvia Osuna, Marcel Swart, et al.
Angewandte Chemie (International Ed. in English)|July 12, 2013
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenesMarc Garcia-Borràs, Sílvia Osuna, Marcel Swart, et al.
Journal of the American Chemical Society|April 17, 2008
Chemical reactivity of D3h C78 (metallo)fullerene: regioselectivity changes induced by Sc3N encapsulationSílvia Osuna, Marcel Swart, Josep M Campanera, et al.
Chemical Society Reviews|May 17, 2014
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenesMarc Garcia-Borràs, Sílvia Osuna, Josep M Luis, et al.
Inorganic Chemistry|November 21, 2013
Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: a density functional theory studyStepan Stepanović, Ljubica Andjelković, Matija Zlatar, et al.
Pageof 13