Molecular dynamics simulations and quantum mechanical studies of the hydrogen bond in water cluster systems
- 1 September 1990
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 237, 47-61
- https://doi.org/10.1016/0022-2860(90)80129-8
Abstract
No abstract availableThis publication has 15 references indexed in Scilit:
- Optimization of parameters for semiempirical methods I. MethodJournal of Computational Chemistry, 1989
- Investigation of structure and stability of small clusters: Molecular dynamics studies of water pentamersThe Journal of Chemical Physics, 1987
- A molecular dynamics study of water clathratesThe Journal of Physical Chemistry, 1983
- A survey of O-H⋯O hydrogen bond geometries determined by neutron diffractionJournal of Molecular Structure, 1981
- A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water moleculeJournal of Molecular Spectroscopy, 1979
- Infrared spectrum of the water–hydrogen sulfide complexThe Journal of Chemical Physics, 1978
- Revised central force potentials for waterThe Journal of Chemical Physics, 1978
- Molecular Orbital Calculations of Water-Ice Surface InteractionsJournal of Glaciology, 1978
- The structure of water dimer from molecular beam electric resonance spectroscopyThe Journal of Chemical Physics, 1977
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973