Zobrazeno 1 - 10
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pro vyhledávání: '"Spin couplings"'
Akademický článek
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Akademický článek
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Publikováno v:
Journal of Chemical Theory and Computation
The computational study of conformational transitions in nucleic acids still faces many challenges. For example, in the case of single stranded RNA tetranucleotides, agreement between simulations and experiments is not satisfactory due to inaccuracie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f369b6a492fa729084adb776e022004e
https://doi.org/10.1021/acs.jctc.6b00299
https://doi.org/10.1021/acs.jctc.6b00299
Akademický článek
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Autor:
Christy George, Narayanan Chandrakumar
Publikováno v:
Chemical Physics Letters. 563:107-111
The influence of homonuclear scalar couplings on multiple quantum coherences evolving under isotropic mixing is investigated. In suitable clusters of four or more spins-1/2 (or two or more spins >½), zero and multiple quantum coherences are shown to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4cab1fc8f7b569bbddae2720e16122cc
https://doi.org/10.1016/j.cplett.2013.01.063
https://doi.org/10.1016/j.cplett.2013.01.063
Autor:
Jean-Cyrille Hierso, Régine Amardeil, Julien Roger, Philippe Richard, Paul Fleurat-Lessard, Marie-José Penouilh, Vincent Rampazzi
Publikováno v:
Inorganic Chemistry
Inorganic Chemistry, American Chemical Society, 2016, 55 (21), pp.10907-10921. 〈http://pubs.acs.org/doi/full/10.1021/acs.inorgchem.6b01318〉. 〈10.1021/acs.inorgchem.6b01318〉
Inorganic Chemistry, American Chemical Society, 2016, 55 (21), pp.10907-10921. ⟨10.1021/acs.inorgchem.6b01318⟩
Inorganic Chemistry, American Chemical Society, 2016, 55 (21), pp.10907-10921. 〈http://pubs.acs.org/doi/full/10.1021/acs.inorgchem.6b01318〉. 〈10.1021/acs.inorgchem.6b01318〉
Inorganic Chemistry, American Chemical Society, 2016, 55 (21), pp.10907-10921. ⟨10.1021/acs.inorgchem.6b01318⟩
International audience; A smart steric control of the metallocene backbone in bis- and poly(phosphino)ferrocene ligands favors intramolecular aurophilic interactions between [AuCl] fragments in polynuclear gold(I) complexes. We synthesized and charac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f4522b0a3865f6f146ec7ebc8adebd9
https://hal-univ-bourgogne.archives-ouvertes.fr/hal-01428979
https://hal-univ-bourgogne.archives-ouvertes.fr/hal-01428979
Publikováno v:
J. Exp. Theor. Phys.
Journal of Experimental and Theoretical Physics
Journal of Experimental and Theoretical Physics
We analyze the role of local geometry in the spin and orbital interaction in transition metal compounds with orbital degeneracy. We stress that the tendency observed for the most studied case (transition metals in O$_6$ octahedra with one common oxyg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6d1d33af5a488eecc1f909625ef5c42
https://hdl.handle.net/10995/102255
https://hdl.handle.net/10995/102255
Autor:
Huen Lee, Yousung Jung, Joonghoe Dho, Minjun Cha, Kyuchul Shin, Jinkwon Kim, Wonhee Lee, Hyungjun Kim
Publikováno v:
Journal of the American Chemical Society. 133:20399-20404
Clathrate hydrates are a highly prospective material in energy and environmental fields, but the inherent nature of inclusion phenomena occurring in the stacked water cages has not been completely resolved yet. Investigating the magnetism of guest mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8abbb88a6a87cc841d1745deaf4cb70e
https://doi.org/10.1021/ja2081394
https://doi.org/10.1021/ja2081394
Autor:
Juan E. Peralta, Daniel Zaccari, Angel L. Esteban, Veronica Barone, Ernesto Díez, O. E. Taurian, Rubén H. Contreras
Publikováno v:
International Journal of Molecular Sciences, Vol 4, Iss 3, Pp 93-106 (2003)
International Journal of Molecular Sciences
Volume 4
Issue 3
Pages 93-106
International Journal of Molecular Sciences
Volume 4
Issue 3
Pages 93-106
The known solvent dependence of 1J(Cc,Hf) and 2J(C1,Hf) couplings in acetaldehyde is studied from a theoretical viewpoint based on the density functional theory approach where the dielectric solvent effect is taken into account with the polarizable c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a5213015869e79c2c125fe81ccb1be4
http://www.mdpi.com/1422-0067/4/3/93/
http://www.mdpi.com/1422-0067/4/3/93/
Publikováno v:
The journal of physical chemistry. A. 116(20)
The second-rank tensor character of the paramagnetic spin-orbit and spin-dipolar contributions to nuclear spin-spin coupling constants is usually ignored when NMR measurements are carried out in the isotropic phase. However, in this study it is shown
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d5fa7626d389cf8df6e50de978fcc32
https://pubmed.ncbi.nlm.nih.gov/22533483
https://pubmed.ncbi.nlm.nih.gov/22533483