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Quadrupole moments of some simple molecules

โœ Scribed by Buckingham, A. D.; Disch, R. L.; Dunmur, D. A.


Book ID
111893493
Publisher
American Chemical Society
Year
1968
Tongue
English
Weight
486 KB
Volume
90
Category
Article
ISSN
0002-7863

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Quadrupole tensor calculatmns are reported for benzene, naphthalene, anthrdcenc, phenanthrene, biphenyl (planar and twisted), p> rene, [ 18]-annulene dnd azulene. Double-zeta and STOJ4G basis sets give similar ratios between naphthalene and benzene components. ST0/4G calculations \_give out-of-phne