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Theoretical Study for the Potential Energy Surface of BH 5 Using the Multicoefficient Correlated Quantum Mechanical Methods

✍ Scribed by Kim, Yongho; Kim, Jino; Kim, Kyung Hyun


Book ID
127317028
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
57 KB
Volume
107
Category
Article
ISSN
1089-5639

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Theoretical 3D study of transition state
✍ A.J.C. Varandas; H.G. Yu πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 358 KB

A 3D time-dependent wavepacket propagation method has been used to study the transition state resonances on the two coupled diabatic states of the H 3 DMBE potential energy surface. We report 14 zero-bend resonances which are found to be in good agreement with the corresponding results calculated us