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Form and Vibrational Frequencies of the NO2 Molecule

โœ Scribed by HARRIS, LOUIS; BENEDICT, W. S.; KING, G. W.

Book ID
109503005
Publisher
Nature Publishing Group
Year
1933
Tongue
English
Weight
125 KB
Volume
131
Category
Article
ISSN
0028-0836

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๐Ÿ“œ SIMILAR VOLUMES

The structure and vibrational frequencie
The structure and vibrational frequencies of NH2NO
โœ John A. Harrison; Robert G.A.R. Maclagan; Andrew R. Whyte ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 428 KB

The geometry of NHzNO has been optimised at the HF level of theory with basis sets ranging from STO-3G to 6-3 I 1 G\*\*. The lowest-energy structure is not planar as previously predicted. The geometry of NHzNO was optimised at the MP2/6-3 lG\*\* level of theory. The geometry of the planar structure

Harmonic vibrational frequencies and geo
Harmonic vibrational frequencies and geometry of NO2 and NO2โˆ’ by the multireference coupled-cluster method
โœ Uzi Kaldor ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 302 KB

The coupled-cluster method with single and double excitations (CCSD) is used to investigate the equilibrium configuration and harmonic vibrational frequencies of NOr and NO?. Good agreement with experimental spectroscopic constants is obtained. The harmonic frequencies of the radical are considerabl