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Mapping the Triplet Potential Energy Surface of 1-Methyl-8-nitronaphthalene

✍ Scribed by Kombarova, Svetlana V.; Il'ichev, Yuri V.


Book ID
125504633
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
373 KB
Volume
70
Category
Article
ISSN
0022-3263

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Potential energy surface for methyl fluoride dimer has been studied theoretically with ab initio molecular orbital method, using a 4-31G basis set. Dimer dissociation energies, Mulliken electronic populations, and dipole moments were obtained.