Development of an empirical OH⋯O hydrogen bond potential for MM2 force field calculations
- 1 December 1983
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 105 (3-4) , 417-425
- https://doi.org/10.1016/0166-1280(83)80219-x
Abstract
No abstract availableThis publication has 11 references indexed in Scilit:
- Molecular‐mechanical studies of Z‐DNA: A comparison of the structural and energetic properties of Z‐ and B‐DNABiopolymers, 1982
- An empirical potential for the O-H·O Hydrogen bond: Part I. Comparison with ab initio molecular orbital resultsJournal of Molecular Structure, 1981
- Intermolecular interactions in crystals of carboxylic acidsMolecular Physics, 1979
- Conformational analysis—132Tetrahedron, 1978
- Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional termsJournal of the American Chemical Society, 1977
- Conformational analysis. 118. Application of the molecular-mechanics method to alcohols and ethersJournal of the American Chemical Society, 1976
- CI study of the water dimer potential surfaceThe Journal of Chemical Physics, 1976
- Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystalsJournal of the American Chemical Society, 1974
- Electric dipole moments of low J states of H2O and D2OThe Journal of Chemical Physics, 1973
- Conformational analysis. LXIX. Improved force field for the calculation of the structures and energies of hydrocarbonsJournal of the American Chemical Society, 1971