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Stretching force constants of the H3N ⋯ LiF lithium bonded and H3N ⋯ HF hydrogen-bonded complexes: Comparison study at the SCF level

✍ Scribed by Zdistaw Latajka; Keiji Morokuma; Henryk Ratajczak; W.J. Orville-Thomas


Book ID
119116580
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
340 KB
Volume
135
Category
Article
ISSN
0166-1280

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Stretching force constants and derivativ
✍ Y. Bouteiller; M. Allavena; J.M. Leclercq 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 213 KB

Recewed 27 July 1981 Quadratic. cubic and quartic force constants assocmted v&h the proton bridge of F-H ..NCH. and derivatwes, up to thud order, of the electric &pole moment have been computed at the SCF level. 6-31 spht-valence and 00~6~) Dunning basis sets have been used to mvestigate the related