Digitale Medien
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
23 (1983), S. 633-637
ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The theory for nuclear shielding including electron correlation effect is derived and applied to the hydrogen fluoride molecule. It is shown that about 20% of the paramagnetic contribution to nuclear shielding at nucleus F is due to electron correlation. Inclusion of electron correlation effect greatly improves the calculated values toward the experimental ones.
Zusätzliches Material:
1 Tab.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560230233
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