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The harmonic force field of methanol

✍ Scribed by P.D. Mallinson


Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
408 KB
Volume
58
Category
Article
ISSN
0022-2852

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πŸ“œ SIMILAR VOLUMES


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✍ J.L. Duncan; P.D. Mallinson πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 242 KB

The use of recently avaiktble frequency, "C frequency shift, Coriolis coupling, and centrift& distortion data enables the GHFF offormnldchyde to be determined with same degree of precision. Excellent agreement is obtained between the experimentally determined interaction force constants and those pr

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The complete general harmonic force field of methyl chloride has been recalculated using the most recent literature frequency, Coriolis zeta, and centrifugal distortion data for (12)CH(3)(35)Cl, (13)CH(3)(35)Cl, (12)CD(3)(35)Cl, (12)CHD(2)(35)Cl, (12)CH(2)D(35)Cl, (12)CH(3)(37)Cl, (12)CD(3)(37)Cl, (

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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