Computer Simulation of Hydrogen-Bonding Liquids
โ Scribed by Ladanyi, B M; Skaf, M S
- Book ID
- 118052049
- Publisher
- Annual Reviews
- Year
- 1993
- Tongue
- English
- Weight
- 935 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0066-426X
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Geometric, energetic and dynamic criteria used for the search of hydrogen bonds in simulated water are discussed. Molecular dynamics computer simulation of a water droplet and bulk liquid water with periodic boundary conditions demonstrated that distribution of hydrogen bond lifetimes is very broad
The usefulness of computer simulations of dense polyatomic fluids is asserted and illustrated by means of several examples (especially rotation-translation couplinq and conformational transitions in alcanes). Technical points and present trends in simulations are discussed as well.