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Ab initio SCF MO potential energy surfaces for quintet states of NH+2

โœ Scribed by David M. Hirst


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
203 KB
Volume
53
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


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Optimised geometries and harmonic vibrational frequencies for possible products and intermediates of the reaction of BH2 with NO, calculated at the HF/6-31G\* level of theory, are presented. Energies calculated using these optimised geometries at the HF, MP2 and MP4SDQ levels of theory are given.