Hartree-Fock dispersion probe of the equilibrium structures of small microclusters of benzene and naphthalene: Comparison with second-order MØeller-Plesset geometries

Journal of Physical Chemistry A

Volumn 105, Issue 46, 2001, Pages 10583-10587

  Gonzalez, Carlos ^a   Allison, Thomas C ^a   Lim, Edward C ^b  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b UNIVERSITY OF AKRON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HARTREE-FOCK DISPERSIONS;

BENZENE; CONFORMATIONS; DISPERSIONS; GEOMETRY; NAPHTHALENE;

MOLECULAR DYNAMICS;

EID: 0035936234     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012341k     Document Type: Article

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29. (28) Certain commercial materials and equipment are identified in this paper in order to specify procedures completely. In no case does such identification imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the material or equipment identified is necessarily the best available for the purpose.
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32. A detailed account of the HFD structures for the trimer and tetramer of naphthalene, and their photophysical implications, will be presented elsewhere (Gonzalez, C.; Lim, E. C., to be submitted for publication).