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Nuclear spin coupling constants from the extended Hückel method

✍ Scribed by J. A. Varga; S. S. Zumdahl


Publisher
Springer
Year
1971
Tongue
English
Weight
233 KB
Volume
21
Category
Article
ISSN
1432-2234

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Energy calculations with the extended-hü
✍ P. Politzer; R.K. Smith; S.D. Kasten 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 504 KB

The reliability of various modiGcations of the extended-Hiickel m&hod in calculating several energy-related quantities was investigated for a group of diatomic mo!ecules. It was found that the total ener,gy cdn be computed fairly accurately, the nccuracy increasing ns the charge distribution is more