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Potential-energy surfaces of low-lying states of HNO

✍ Scribed by Okio Nomura

Book ID
104579880
Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
357 KB
Volume
18
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Global features of potential‐energy curves are drawn using minimal basis SCF–CI method. Potential‐energy surfaces are drawn at points of interest. The mechanism of the chemiluminescence is discussed along with the measurement of a rate constant exploiting the phenomena.

πŸ“œ SIMILAR VOLUMES

CAS SCF/CI calculations of low-lying sta
CAS SCF/CI calculations of low-lying states and potential energy surfaces of Si3
✍ K. Balasubramanian πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 607 KB

Complete active space MC SCF and restricted first-order CI calculations of low-lying states of Si, ('A,, 3Br, 'Br, 3B,, 'Bi, 3A2, 'A,) and potential energy surfaces of the 'A, and 3Br states are calculated. MRSDCI calculations are carried out for the 'A, and 'A\ (D3k) states. The ground state of Si,