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Ab initio theoretical and matrix isolation experimental studies of hydrogen bonding 2. A theoretical study of distances, force constants, and vibrational frequencies in complexes of hydrogen halides and 4-substituted pyridines

✍ Scribed by BENE, JANET E. DEL


Book ID
126799374
Publisher
Taylor and Francis Group
Year
1996
Tongue
English
Weight
338 KB
Volume
89
Category
Article
ISSN
0026-8976

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Ab initio theoretical and matrix isolati
✍ Janet E. Del Bene; Willis B. Person; Krystyna Szczepaniak πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 391 KB

Ab initio calculations at the MP2/6-31 + G(d, p) level have been performed to determine the structures, binding energies, and vibrational spectra of a series of 1:1 HCl:4-X-pyridine complexes, with X = H, CH 3, NH 2, OH, F, C1, CN, CHO, Li, Na, O-and S-. The substituents include both electron donati