Comparative ab initio and semi-empirical study of hydrogen bonded complexes of NH3 and H2O
- 1 February 1992
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 254, 315-328
- https://doi.org/10.1016/0166-1280(92)80076-x
Abstract
No abstract availableKeywords
This publication has 51 references indexed in Scilit:
- Theoretical studies of hydrogen-bonded complexes using semiempirical methodsJournal of Molecular Structure: THEOCHEM, 1990
- Comparison of semiempirical and bsse corrected møller-plesset ab initio calculations on the direct addition of water to formaldehydeJournal of Molecular Structure: THEOCHEM, 1990
- AM1 study of hydrogen bonded complexes of waterJournal of Molecular Structure: THEOCHEM, 1989
- Optimization of parameters for semiempirical methods I. MethodJournal of Computational Chemistry, 1989
- An evaluation of water cluster geometries derived from semi-empirical AM1 calculationsChemical Physics Letters, 1988
- MNDO/M Calculations on hydrogen bonded systemsJournal of Molecular Structure: THEOCHEM, 1988
- MNDO calculations of systems containing hydrogen bondsTheoretical Chemistry Accounts, 1987
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- Ground states of molecules. 38. The MNDO method. Approximations and parametersJournal of the American Chemical Society, 1977
- Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygenJournal of the American Chemical Society, 1977