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SCF MO LCGO Studies on hydrogen bonding: The system NH3· H2O

✍ Scribed by Geerd H. F. Diercksen; Wolfgang P. Kraemer; W. Niessen


Publisher
Springer
Year
1972
Tongue
English
Weight
415 KB
Volume
28
Category
Article
ISSN
1432-2234

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SCF MO LCGO studies of hydrogen bonding:
✍ Geerd H.F. Diercksen; Wolfgang P. Kraemer 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 318 KB

Different geometrical configurations of the hydrogen fluoride dimer have been studied by SCF LCGO MO calculations expanding the molecular wavefunctions into an extended basis set of gaussian type functions. For the minimum energy geometry a structure with a single linear hydrogen bond between the fl