Effects of hydration on scale factors for ab initio force constants III: supermolecules
- 1 January 1992
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 253, 57-72
- https://doi.org/10.1016/0166-1280(92)87097-j
Abstract
No abstract availableThis publication has 29 references indexed in Scilit:
- Effects of hydration on scale factors for ab initio force constantsIIJournal of Molecular Structure: THEOCHEM, 1992
- Effects of hydration on scale factors for ab initio force constantsJournal of Computational Chemistry, 1991
- Vibrational dynamics of the cis peptide groupJournal of the American Chemical Society, 1990
- Comparative study of imidazole hydration: Ab initio and electrostatic calculations vs. Cambridge structural database analysisJournal of Computational Chemistry, 1990
- SCF, MP2, and CEPA‐1 calculations on the OH ‥ O hydrogen bonded complexes (H2O)2 and (H2O‐H2CO)Journal of Computational Chemistry, 1990
- Relation between calculated amide frequencies and solution structure in Ala‐X peptidesBiopolymers, 1990
- Amide III frequencies for Ala‐X peptides depend on the X amino acid sizeBiopolymers, 1990
- A theoretical study of the water dimer interactionThe Journal of Chemical Physics, 1988
- Mo/ller–Plesset third order calculations with large basis setsThe Journal of Chemical Physics, 1988
- Hydrogen-bonded complexes involving HF and HCl: the effects of electron correlation and anharmonicityTheoretical Chemistry Accounts, 1987