𝔖 Bobbio Scriptorium
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Survey of the methods for the determination of charge distribution in electronically excited molecules

✍ Scribed by H. Labhart


Book ID
112648510
Publisher
Springer
Year
1966
Tongue
English
Weight
738 KB
Volume
22
Category
Article
ISSN
1420-682X

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Charge distribution in the water molecul
✍ F. Martin; H. Zipse πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 254 KB

## Abstract The charge distribution in the water molecule has been analyzed using a broad variety of basis sets, four different quantum mechanical methods (Hartree–Fock, Becke3LYP, MP2, and QCISD), and six population analysis methods (Mulliken, NPA, AIM, CHELPG, Merz–Kollman, and Resp). The influen