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A new approach to the “sudden” collisional dynamics of atom-molecule systems

✍ Scribed by E.Ficocelli Varracchio


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
465 KB
Volume
83
Category
Article
ISSN
0009-2614

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New approach to the semiempirical calcul
✍ Ulrich Sternberg; Frank–thomas Koch; Margit Möllhoff 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 658 KB

## Abstract Starting from the bond polarization theory (BPT), a new semiempirical method for the calculation of net atomic charges is developed. The bond polarization theory establishes a linear dependence of atomic charges from the bond polarization energy. This energy is calculated from the hybri