Improvement of the hydrogen bonding correction to MNDO for calculations of biochemical interest
- 1 September 1987
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 8 (6) , 835-849
- https://doi.org/10.1002/jcc.540080612
Abstract
No abstract availableKeywords
This publication has 65 references indexed in Scilit:
- Computational schemes for modeling proton transfer in biological systems: Calculations on the hydrogen bonded complex [CH3OH · H · NH3]+Journal of Computational Chemistry, 1985
- Comparison of semiempirical and ab initio transition statesJournal of the American Chemical Society, 1985
- Conversions over low barriers. 4. Dimer/monomer dissociation in formic acidJournal of the American Chemical Society, 1985
- Analysis of the inadequacies of some semi‐empirical MO methods as theories of structure and reactivityInternational Journal of Quantum Chemistry, 1984
- Formation, thermochemistry, and relative stabilities of proton-bound dimers of oxygen n-donor bases from ion cyclotron resonance solvent-exchange equilibrium measurementsJournal of the American Chemical Society, 1982
- Molecular orbital treatments of hydrogen bonded systems. 2. Dimers of water and HCNTheoretical Chemistry Accounts, 1980
- Hydrogen bonding of water to onium ions. Hydration of substituted pyridinium ions and related systemsJournal of the American Chemical Society, 1979
- A MINDO/3 study of some hydrogen-bonded systemsJournal of the American Chemical Society, 1978
- Hydrogen bonding ability of the amide groupJournal of the American Chemical Society, 1974
- A new approach to variable metric algorithmsThe Computer Journal, 1970