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Structures of triatomic radicals HCO, HNO and HOO

✍ Scribed by J.F. Ogilvie

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
416 KB
Volume
31
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES

A computational study of the kinetics an
A computational study of the kinetics and mechanism for the reaction of HCO with HNO
✍ Z. F. Xu; M. C. Lin πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 287 KB πŸ‘ 1 views

## Abstract The mechanism for the reaction of HCO with HNO has been studied at the G2M level of theory, based on the geometric parameters optimized by the BH&HLYP/6‐311G(d, p) method. There are three direct hydrogen abstraction channels producing (1) H~2~CO + NO, (2) H~2~NO + CO, and (3) HNOH + CO

A comparative study of the structure and
A comparative study of the structure and bonding of HOO, HOS, HSO, and HSS radicals by CNDO/2 and INDO methods
✍ B. R. De; A. B. Sannigrahi πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 509 KB

## Abstract Equilibrium geometries, force constants, barriers to linearity, charge distributions, dipole moments, and electron spin density of HOO, HOS, HSO, and HSS radicals are calculated by CNDO/2 and INDO methods using respectively the original and some recently introduced scheme of parametriza