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Base Properties of H 2 CO in the Excited 1 n→π* State

✍ Scribed by Del Bene, Janet E.; Gwaltney, Steven R.; Bartlett, Rodney J.

Book ID
127278711
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
51 KB
Volume
102
Category
Article
ISSN
1089-5639

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Base properties of H2CO in the excited 3
Base properties of H2CO in the excited 3n→π* state
✍ Janet E. Del Bene; John D. Watts 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 146 KB 👁 1 views

Calculations using the coupled-cluster method with singles and doubles Ž . based on a restricted open Hartree-Fock reference ROHF-CCSD with the augЈ-cc-pVDZ basis set have been carried out to investigate the structures, energies, and vibrational spectra of protonated H CO and of the hydrogen-bonded