The central force model for a water molecule is corrected by adding a three-body term. The present potential fits both an accurate ab initio potential energy surface and the fundamental vibrational frequencies of gas-phase water. The three-body terms allow us to reproduce the gas-phase IR spectrum b
โฆ LIBER โฆ
An improved algorithm for molecular dynamics simulation of rigid molecules
โ Scribed by Roland Sonnenschein
- Book ID
- 107788808
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 173 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0021-9991
No coin nor oath required. For personal study only.
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