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Jahn—Teller effect of the 2e2g level of chemisorbed benzene

✍ Scribed by J. Eiding; W. Domcke; W. Huber; H.-P. Steinrück

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
654 KB
Volume
180
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

Ab initio investigation of the multimode
Ab initio investigation of the multimode dynamical Jahn-Teller effect in the X̃ 2E1g state of the benzene cation
✍ J. Eiding; R. Schneider; W. Domcke; H. Köppel; W. von Niessen 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 633 KB

Linear lahn-Teller coupling parameten for the %! \*El, state of C& and C6D: have been determined using beyond-Hartree-Fock ab initio methods. The vibmnic structure of the first band of the photoelectron spectrum of benzene has been computed including up to three nonseparable Jahn-Teller-active modes