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Ab initio studies on the van der Waals complexes of polycyclic aromatic hydrocarbons. II. Naphthalene dimer and naphthalene–anthracene complex

✍ Scribed by Lee, Nam Ki; Park, Soonyong; Kim, Seong Keun


Book ID
120494837
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
736 KB
Volume
116
Category
Article
ISSN
0021-9606

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Ab initio calculations for the excited states of the positive ions of naphthalene, anthracene and phenanthrene have been carried out to elucidate their absorption spectra in the UV-VIS range (200-1000 nm). With restricted open-shel! Hartree-Fock one-particle basis functions employing double-~" or tr