Theoretical study of the geometry of HNO{sup {minus}}
Journal Article
·
· Bulletin of the American Physical Society
OSTI ID:281522
- Univ. of Nevada, Las Vegas, NV (United States)
- Univ. of California, Santa Barbara, CA (United States)
The first ab initio theoretical calculations have been performed on nitroxide, HNO{sup {minus}}, in combination with a comparison study of two chemically similar systems, isoelectronic peroxy radical, HO{sub 2} and the neutral nitroxyl radical, HNO. An optimum ground state geometry and vibrational frequencies are reported for all species with results compared to known experimental as well as theoretical values. Comparison will be made to an experimental study of the geometry of HNO{sup {minus}}.
- OSTI ID:
- 281522
- Report Number(s):
- CONF-9305421-; ISSN 0003-0503; TRN: 96:019447
- Journal Information:
- Bulletin of the American Physical Society, Vol. 38, Issue 3; Conference: 1993 American Physical Society annual meeting on atomic, molecular, and topical physics, Reno, NV (United States), 16-19 May 1993; Other Information: PBD: May 1993
- Country of Publication:
- United States
- Language:
- English
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OSTI ID:281522