## Abstract A molecular mechanics parameter set for the nitroxyl spinβlabel 3βformylβ2,2,5,5βtetramethylβ1βoxypyrroline was developed by application of Gaussian94 at the HF/6β31G(d) level suitable for use in molecular dynamics simulations. The parameter set was validated through molecular dynamics
β¦ LIBER β¦
Anisotropic motion and molecular dynamics of a dinitroxide spin label
β Scribed by Ottmar Rohde; O Hayes Griffith
- Publisher
- Elsevier Science
- Year
- 1975
- Weight
- 753 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0022-2364
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Validation of nitroxyl spin-label force-
β
Christopher J. Van Zele; Mark A. Cunningham; Marvin W. Makinen
π
Article
π
2001
π
John Wiley and Sons
π
English
β 186 KB
A spin label saturation transfer ESR stu
β
P. Koole; C. Dijkema; G. Casteleijn; M.A. Hemminga
π
Article
π
1981
π
Elsevier Science
π
English
β 648 KB
13C spin-lattice relaxation in phenylace
β
George C Levy; Dwain M White; F.A.L Anet
π
Article
π
1972
π
Elsevier Science
β 211 KB
ESR molecular dynamics study at the oxid
β
A. Buttafava; A. Faucitano; F. Martinotti; L. Greci
π
Article
π
1996
π
Elsevier Science
π
English
β 124 KB
Molecular Motion of the Cholestane Spin
β
S.A. Dzuba; H. Watari; Y. Shimoyama; A.G. Maryasov; Y. Kodera; A. Kawamori
π
Article
π
1995
π
Elsevier Science
π
English
β 572 KB
Relaxation Time Determinations by Progre
β
V.A Livshits; T PΓ‘li; D Marsh
π
Article
π
1998
π
Elsevier Science
π
English
β 253 KB
The EPR spectra of nitroxide spin labels have been simulated as a function of microwave field, H 1 , taking into account both magnetic field modulation and molecular rotation. It is found that the saturation of the second integral, S, of the first harmonic in-phase absorption spectrum is approximate