Calculation of hyperfine coupling constants of the ground state X 3Σ− of NH and B2

1993 ◽  
Vol 99 (8) ◽  
pp. 5995-6003 ◽  
Author(s):  
Berta Fernández ◽  
Poul Jo/rgensen ◽  
E. A. McCullough ◽  
Jack Simons
Keyword(s):  
Ground State ◽  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants

A [3Fe–3S]3+ cluster with exclusively μ-sulfide donors

2016 ◽  
Vol 52 (6) ◽  
pp. 1174-1177 ◽  
Author(s):  
Yousoon Lee ◽  
Ie-Rang Jeon ◽  
Khalil A. Abboud ◽  
Ricardo García-Serres ◽  
Jason Shearer ◽  
...  
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ground State ◽  
Hyperfine Coupling ◽  
Mossbauer Spectroscopy ◽  
Variable Temperature ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants ◽  
Mößbauer Spectroscopy ◽  
Pyramidal Geometry ◽  
Anisotropic Hyperfine

A [3Fe–3(μ-S)]3+ cluster is reported in which each ferric center has a distorted trigonal pyramidal geometry, with an S = 1/2 ground state for the cluster and unusually anisotropic hyperfine coupling constants as determined by variable temperature magnetometry and Mössbauer spectroscopy.

Calculation of hyperfine coupling constants of the CN and CP ground state radicals

1993 ◽  
Vol 98 (9) ◽  
pp. 7012-7019 ◽  
Author(s):  
Berta Fernández ◽  
Poul Jo/rgensen ◽  
Jack Simons
Keyword(s):  
Ground State ◽  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants

Theory of hyperfine coupling constants of solvated molecules: Applications involving methyl and ClO2 radicals in different solvents

1996 ◽  
Vol 104 (2) ◽  
pp. 629-635 ◽  
Author(s):  
Berta Fernández ◽  
Ove Christiansen ◽  
Ota Bludsky ◽  
Poul Jo/rgensen ◽  
Kurt V. Mikkelsen
Keyword(s):  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants ◽  
Solvated Molecules
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