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The anharmonic force fields of silyl fluoride and silyl chloride

✍ Scribed by Walter Thiel; Yukio Yamaguchi; Henry F. Schaefer III


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
997 KB
Volume
132
Category
Article
ISSN
0022-2852

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The molecular geometry and the harmonic and the anharmonic components of the force field of FSN have been evaluated by the SCF and, to account for electron correlation, by the MP2 and CASSCF methods. Comparison with experiment of the theoretical geometry, dipole and force constants shows that SCF an