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A theoretical study of the structures, stabilities and vibrational frequencies of the CO2NO2− anions

✍ Scribed by Mohua Chen; Mingfei Zhou; Qizong Qin


Book ID
114141148
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
120 KB
Volume
535
Category
Article
ISSN
0166-1280

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The structure and vibrational frequencie
✍ John A. Harrison; Robert G.A.R. Maclagan; Andrew R. Whyte 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 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