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The hydrogen bonding influence on polarizability and hyperpolarizability. A derivative hartree-fock study of the electrical properties of hydrogen fluoride and the hydrogen fluoride dimer

✍ Scribed by Clifford E. Dykstra; Shi-Yi Liu; David J. Malik

Book ID
119116574
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
745 KB
Volume
135
Category
Article
ISSN
0166-1280

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Electrical effects on the vibrational tr
Electrical effects on the vibrational transitions of hydrogen fluoride due to hydrogen bonding and applied fields
✍ Shi-yi Liu; Clifford E. Dykstra; David J. Malik πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 624 KB

Derivative Hartree-Fock (DHF) theory has been used to study the transition dipole moment of hydrogen fluoride in several hydrogen-bonded complexes and in the presence of applied fields. DHF is an open-ended, analytical means for finding energy derivatives wth respect to any number of parameters, and