Structure-Function Studies of DNA Damage Using ab Initio Quantum Mechanics and Molecular Dynamics Simulation
β Scribed by JOHN MILLER; KAROL MIASKIEWICZ; ROMAN OSMAN
- Book ID
- 119871177
- Publisher
- John Wiley and Sons
- Year
- 1994
- Tongue
- English
- Weight
- 1020 KB
- Volume
- 726
- Category
- Article
- ISSN
- 0890-6564
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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## Abstract The __ab initio__ quantum mechanical charge field molecular dynamics (QMCF MD) formalism was applied to simulate the bicarbonate ion, HCO~3~^β^, in aqueous solution. The difference in coordination numbers obtained by summation over atoms (6.6) and for the solventβaccessible surface (5.4