Computer simulation of the superhyperfine structure of the ESR spectra of nitroxide radicals in solution

1984 ◽  
Vol 88 (6) ◽  
pp. 1063-1065 ◽  
Author(s):  
Maurizio Romanelli
Keyword(s):  
Computer Simulation ◽  
Esr Spectra ◽  
Nitroxide Radicals ◽  
Superhyperfine Structure

scholarly journals ESR Spectra of Nitroxide Radicals Formed from Some 4-Nitrosopyrazole Derivatives in the Trapping of .CH2OH and .CH3 Radicals.

1989 ◽  
Vol 43 ◽  
pp. 503-505 ◽  
Author(s):  
Carl Lagercrantz ◽  
Hans Leijonmarck ◽  
Jonas Ölund ◽  
Lene Teuber ◽  
Brigitta Lucanska ◽  
...  
Keyword(s):  
Esr Spectra ◽  
Nitroxide Radicals

ESR spectra of the triplet and singlet states of a Zn-P two-spin system in Si: Mathematical modeling and computer simulation

2005 ◽  
Vol 34 (6) ◽  
pp. 373-382
Author(s):  
S. N. Dobryakov ◽  
V. V. Privezentsev
Keyword(s):  
Mathematical Modeling ◽  
Computer Simulation ◽  
Spin System ◽  
Esr Spectra ◽  
Singlet States

Konformationsuntersuchungen an Tetrahydroisochinolin- und Tetrahydronaphthalin-Semichinonen durch ESR-Spektroskopie

1985 ◽  
Vol 40 (6) ◽  
pp. 619-626 ◽  
Author(s):  
Klaus Scheffler ◽  
Klaus Stolze ◽  
Hartmut B. Stegmann
Keyword(s):  
Computer Simulation ◽  
Rate Constants ◽  
Heterocyclic Compounds ◽  
Esr Spectroscopy ◽  
Activation Parameters ◽  
Esr Spectra ◽  
Coupling Constants ◽  
Inversion Process ◽  
Ring Inversion ◽  
Significant Temperature

Semiquinones of 6,7-dihydroxy- 1,2,3,4-tetrahydroisoquinolines and -naphthalenes are investigated by ESR-spectroscopy in the presence of diorganothalliumhydroxide. The ESR-spectra show a significant temperature dependence of the coupling constants of the β-methylene protons due to ring inversion of the partially hydrogenated ring. Computer simulation of the spectra gave the rate constants and the activation parameters for this ring inversion process. The heterocyclic compounds show considerably lower rate constants due to implication of N-inversion. In comparison to analogous cyclohexene-semidione systems, our systems showed rate constants about 10 times higher than those of their monocyclic counterparts.

Superhyperfine structure of the ESR spectra of Gd3+ impurity ions in LiYF4 double fluoride

2017 ◽  
Vol 59 (3) ◽  
pp. 564-568 ◽  
Author(s):  
L. K. Aminov ◽  
M. R. Gafurov ◽  
S. L. Korableva ◽  
I. N. Kurkin ◽  
A. A. Rodionov
Keyword(s):  
Esr Spectra ◽  
Superhyperfine Structure ◽  
Impurity Ions

Dipolar and spin exchange effects in the ESR spectra of nitroxide radicals in solution

1985 ◽  
Vol 108 (1) ◽  
pp. 133-139 ◽  
Author(s):  
Giacomo Martini ◽  
Marco Bindi
Keyword(s):  
Spin Exchange ◽  
Esr Spectra ◽  
Nitroxide Radicals ◽  
Exchange Effects

Rapid computer simulation of ESR spectra. Conventional ESR of axially symmetric 14N-nitroxide spin labels

1975 ◽  
Vol 35 (3) ◽  
pp. 360-366 ◽  
Author(s):  
Patrick Coffey ◽  
Bruce H. Robinson ◽  
Larry R. Dalton
Keyword(s):  
Computer Simulation ◽  
Esr Spectra ◽  
Spin Labels ◽  
Axially Symmetric ◽  
Nitroxide Spin Labels

ESR spectra of new nitroxide radicals

1976 ◽  
Vol 25 (10) ◽  
pp. 2069-2073 ◽  
Author(s):  
Yu. A. Ivanov ◽  
A. I. Kokorin ◽  
A. B. Shapiro ◽  
É. G. Rozantsev
Keyword(s):  
Esr Spectra ◽  
Nitroxide Radicals
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