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Ab initio calculations of spin-spin coupling constants in anhydrodeoxythymidines
Ab initio calculations of spin-spin coupling constants in anhydrodeoxythymidines...
BO - Biofyzika
- 2000 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Restricted conformational flexibility of furanose derivatives: Ab initio interpretation of their nuclear spin-spin coupling constants
Indirect spin-spin NMR 1H-1H coupling constants of newly synthesized furanose monosaccharide derivatives were interpreted on the basis of ab initio modeling. Epimino groups were inserted into the sugars and limited...
CF - Fyzikální chemie a teoretická chemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
A complete set of NMR chemical shifts and spin-spin coupling constants for L-Alanyl-L-Alanine zwitterion and analysis of its conformational behavior
With the aid of labeling with stable isotopes (15N and 13C) a complete set of chemical shifts and indirect spin-spin coupling constants was obtained for the zwitterionic form of L-alanyl-L-alanine in aqueous soluti...
CF - Fyzikální chemie a teoretická chemie
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Rovibrational and Temperature Effects in Theoretical Studies of NMR Parameters
Book chapter summarizes rotational and vibrational, as well as thermal effects on various NMR parameters (chemical shieldings, shifts and spin-spin coupling constants) in theoretical works containing various types ...
CF - Fyzikální chemie a teoretická chemie
- 2016 •
- C •
- Link
Rok uplatnění
C - Kapitola v odborné knize
Výsledek na webu
Spectral Assignments and Reference Data 2J(29Si?O?29Si) Coupling Constants in Oligosiloxanes.
The absolute values of spin?spin couplings between 29Si nuclei in siloxanes, 2J(29Si?O?29Si), were determined. The couplings are small and cover a narrow range of values (0?5 Hz). The coupling constant...
CF - Fyzikální chemie a teoretická chemie
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Ab Initio Calculations of of Spin - Spin Coupling Constants in Anhydrodeoxythymidines
N/A...
CF - Fyzikální chemie a teoretická chemie
- 2000 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Calculation of Structural Behavior of Indirect NMR Spin-Spin Couplings in the Backbone of Nucleic Acids
Values of indirect NMR spin-spin coupling constants between 31P, 13C, and 1H nuclei calculated by high-level quantum mechanics were related to the backbone torsion angles of nucleic acids. It was shown that the
CF - Fyzikální chemie a teoretická chemie
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Conformation of DNA five-membered sugar rings proton-proton spin-spin coupling constants
CF - Fyzikální chemie a teoretická chemie
- 1997 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
29Si - 13C Spin-Spin Couplings over a Si ? O ? Csp3 Link
29Si-13C spin spin couplings over one, two, and three bonds as well as other NMR parameters were calculated and measured for a series of trimethylsilylated alcohols. The signs of the coupling constants det...
CF - Fyzikální chemie a teoretická chemie
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Exploring the Structure of a DNA Hairpin with the Help of NMR Spin-spin Coupling Constants:An Experimental and Quantum Chemical Investigation
spin-spin coupling constants 1J(X, H) (X= C, N), 1J(C, X) (X= C, N), and 2J(X,H) (X to determine diamagnetic spin-orbit, paramagnetic spin-orbit, Fermi contact, and spin-dipolar contribu...
CF - Fyzikální chemie a teoretická chemie
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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