Ab initio theoretical and matrix isolati
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Janet E. Del Bene; Willis B. Person; Krystyna Szczepaniak
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Article
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1995
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Elsevier Science
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English
β 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