A density functional study of copper hydroxonitrate: size effects and spin density topology

Polyhedron ◽  
2001 ◽  
Vol 20 (11-14) ◽  
pp. 1305-1309 ◽  
Author(s):  
C Massobrio ◽  
Y Pouillon ◽  
P Rabu ◽  
M Drillon
Keyword(s):  
Spin Density ◽  
Size Effects ◽  
Density Functional ◽  
Functional Study ◽  
Density Topology ◽  
Density Functional Study

scholarly journals Current-spin-density-functional study of persistent currents in quantum rings

2000 ◽  
Vol 62 (16) ◽  
pp. 10668-10673 ◽  
Author(s):  
S. Viefers ◽  
P. Singha Deo ◽  
S. M. Reimann ◽  
M. Manninen ◽  
M. Koskinen
Keyword(s):  
Spin Density ◽  
Density Functional ◽  
Functional Study ◽  
Persistent Currents ◽  
Density Functional Study ◽  
Quantum Rings

gTensor and Spin Density of the Modified Tyrosyl Radical in Galactose Oxidase:  A Density Functional Study

2003 ◽  
Vol 107 (1) ◽  
pp. 331-337 ◽  
Author(s):  
Martin Kaupp ◽  
Tobias Gress ◽  
Roman Reviakine ◽  
Olga L. Malkina ◽  
Vladimir G. Malkin
Keyword(s):  
Spin Density ◽  
Density Functional ◽  
Galactose Oxidase ◽  
Functional Study ◽  
Tyrosyl Radical ◽  
Density Functional Study
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