Zobrazeno 1 - 10
of 216
pro vyhledávání: '"Marcel Swart"'
Autor:
Michael Jirasek, Abhishek Sharma, Jessica R. Bame, S. Hessam M. Mehr, Nicola Bell, Stuart M. Marshall, Cole Mathis, Alasdair MacLeod, Geoffrey J. T. Cooper, Marcel Swart, Rosa Mollfulleda, Leroy Cronin
Publikováno v:
ACS Central Science, Vol 10, Iss 5, Pp 1054-1064 (2024)
Externí odkaz:
https://doaj.org/article/a200dd341b7f40ffa1127bd0f1ffcfcd
Autor:
Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G. Baonza, Mercedes Taravillo, Álvaro Lobato
Publikováno v:
Advanced Science, Vol 11, Iss 25, Pp n/a-n/a (2024)
Abstract Previous studies on bimetallic paddlewheel compounds have established a direct correlation between metal–metal distance and ligand torsion angles, leading to the rule that higher torsion results in longer metal‐metal bond distances. Here
Externí odkaz:
https://doaj.org/article/f51632ebdfca45b68cccae00fa3d1448
Autor:
Marcel Swart, F. Matthias Bickelhaupt
Publikováno v:
Molecules, Vol 18, Iss 7, Pp 7726-7738 (2013)
We report here a benchmark study on the bimolecular nucleophilic substitution (SN2) reaction between hydride and methane, for which we have obtained reference energies at the coupled cluster toward full configuration-interaction limit (CC-cf/CBS). Se
Externí odkaz:
https://doaj.org/article/b138e5ea92cc43fb841cbb66d5c72884
Autor:
Mayukh Bhadra, Therese Albert, Alicja Franke, Verena Josef, Ivana Ivanović-Burmazović, Marcel Swart, Pierre Moënne-Loccoz, Kenneth D. Karlin
Publikováno v:
Journal of the American Chemical Society. 145:2230-2242
Publikováno v:
Physical Chemistry Chemical Physics. 25:8043-8049
The minimum size of a model system to study the peptide bond rupture mechanism in KLK5 is determined using three sequential scale models.
Autor:
Tong Wu, Khashayar Rajabimoghadam, Ankita Puri, David D. Hebert, Yi Lin Qiu, Sidney Eichelberger, Maxime A. Siegler, Marcel Swart, Michael P. Hendrich, Isaac Garcia-Bosch
Publikováno v:
J Am Chem Soc
In this research article, we describe a 4H(+)/4e(−) electron-coupled-proton buffer (ECPB) based on Cu and a redox-active ligand. The protonated/reduced ECPB (complex 1: [Cu(8H(+)/14e(−))](1+)), consisting of Cu(I) with 2 equiv of the ligand ((cat
Autor:
Lorenzo D’Amore, Alexander Brinkmeier, Roland A. Schulz, Franc Meyer, Serhiy Demeshko, Kristian E. Dalle, Marcel Swart, Sebastian Dechert
Publikováno v:
Journal of the American Chemical Society. 143:17751-17760
The properties of metal/dioxygen species, which are key intermediates in oxidation catalysis, can be modulated by interaction with redox-inactive Lewis acids, but structural information about these adducts is scarce. Here we demonstrate that even mil
Autor:
Alice Paskin, Katrin Warm, Peter Hildebrandt, Uwe Kuhlmann, Marcel Swart, Kallol Ray, Holger Dau, Michael Haumann, Eckhard Bill
Publikováno v:
Angewandte Chemie (International Ed. in English)
Angewandte Chemie-International Edition
Angewandte Chemie International Edition, 2021, vol. undef, núm. undef, p. undef
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
Angewandte Chemie-International Edition
Angewandte Chemie International Edition, 2021, vol. undef, núm. undef, p. undef
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
S=2 oxoiron(IV) species act as reactive intermediates in the catalytic cycle of nonheme iron oxygenases. The few available synthetic S=2 FeIV=O complexes known to date are often limited to trigonal bipyramidal and very rarely to octahedral geometries
Autor:
Charafa Souilah, Sergio A. V. Jannuzzi, Derya Demirbas, Sergei Ivlev, Marcel Swart, Serena DeBeer, Alicia Casitas
Publikováno v:
Angewandte Chemie International Edition. 61
Autor:
Marcel Swart, Tadeusz M. Krygowski, Halina Szatylowicz, Olga A. Stasyuk, Miquel Solà, Célia Fonseca Guerra
Publikováno v:
ChemPhysChem, 21(18), 2112-2126. Wiley-VCH Verlag
Stasyuk, O A, Solà, M, Swart, M, Fonseca Guerra, C, Krygowski, T M & Szatylowicz, H 2020, ' Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs ', ChemPhysChem, vol. 21, no. 18, pp. 2112-2126 . https://doi.org/10.1002/cphc.202000434
© ChemPhysChem, 2020, vol. 21, núm. 18, p. 2112-2126
Articles publicats (D-Q)
Stasyuk, Olga A. Solà i Puig, Miquel Swart, Marcel Fonseca Guerra, Célia Krygowski, Tadeusz M. Szatylowicz, Halina 2020 Effect of alkali metal cations on length and strength of hydrogen bonds in DNA base pairs ChemPhysChem 21 18 2112 2126
DUGiDocs – Universitat de Girona
instname
Stasyuk, O A, Solà, M, Swart, M, Fonseca Guerra, C, Krygowski, T M & Szatylowicz, H 2020, ' Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs ', ChemPhysChem, vol. 21, no. 18, pp. 2112-2126 . https://doi.org/10.1002/cphc.202000434
© ChemPhysChem, 2020, vol. 21, núm. 18, p. 2112-2126
Articles publicats (D-Q)
Stasyuk, Olga A. Solà i Puig, Miquel Swart, Marcel Fonseca Guerra, Célia Krygowski, Tadeusz M. Szatylowicz, Halina 2020 Effect of alkali metal cations on length and strength of hydrogen bonds in DNA base pairs ChemPhysChem 21 18 2112 2126
DUGiDocs – Universitat de Girona
instname
For many years non-covalently bonded complexes of nucleobases have attracted considerable interest. However, there is a lack of information about the nature of hydrogen bonding between nucleobases when the bonding is affected by metal coordination to