Ab initio calculations are used to compute the change in the vibrational frequency of CN with an applied electric field aligned parallel to the bond axis. The effect of the field on the CN y vibrational frequency is of the same magnitude as for CN, but in the opposite direction. These results are co
The effect of an external electric field on the vibrational frequency of CO
β Scribed by Charles W. Bauschlicher Jr.
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 327 KB
- Volume
- 118
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Ab initio cakulatioos. using a CAS SCF wavef~ction and extended basis set, show a change in the vibationaI Irequency xvi& ektnc Iield strength for the ground'L+ state of CO of one third that observed for CO/Ni(llO). This result soppon_s the view of Lamben Energy no field -112.798008 -112
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