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Electric quadrupole and hexadecapole moments for ethyne

โœ Scribed by George Maroulis

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
453 KB
Volume
177
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES

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The electric quadrupole ((3) and hexadecapole (a) moment, and the quadrupole polarizability ( Cas& of chlorine were ob tained from finite-field self-consistent field and Meller-Plcsset perturbation theory calculations. The quadrupole and hexadecapolemoments arequite wellapproximated, in atomicunits,

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agree, with 3x1 ~vcrago error of about lO%, ~4th accurate v&es from the litarature. The model us08 bond lengths and vibrational stretching force constants ns input nnd yields primitive molecular electronic structures 3s output.