It is noticed that inclusion of an electrostatic term in the molecular-mechanical treatment of hydrocarbons would compel the nonbonding parameters of different force fields to become more alike than they are at present. Apart from removing the discontinuity in passing from the calculation of an unfu
✦ LIBER ✦
The concept of canonical molecular force field
✍ Scribed by E. Martínez Torres; J.J. López González; J. Vázquez Quesada
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 112 KB
- Volume
- 705
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
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