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Theoretical studies of the geometry and vibrations of molecular adsorbates: Acetylene

✍ Scribed by Sunantha Hengrasmee; J.Barrie Peel

Publisher
Elsevier Science
Year
1987
Weight
57 KB
Volume
184
Category
Article
ISSN
0167-2584

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The equlbnum molecular geometries of 1-phenyl-and 2-phenyl-naphthaknes in the electronic So and S1 states hake been calculnred by muumiz ation of the total enera with respect to all molecular coordmates. The singlet term systems of both isomers have txen determined usmg these results. Although rhe f