The electrostatic potential is usually evaluated by putting a test charge at several points on an appropriate molecular surface. The polarization effect is an indispensable long-range interaction as well as the electrostatic interaction. To evaluate the polarization effect, it is necessary to relax
✦ LIBER ✦
Electron affinity of para-benzoquinone by ab initio ΔSCF calculations and semiempirical estimation of electron correlation energy
✍ Scribed by Salvatore Millefiori; Arcangelo Millefiori
- Book ID
- 119115838
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 264 KB
- Volume
- 104
- Category
- Article
- ISSN
- 0166-1280
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