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Calculations of the σ-complexes of certain nitro derivatives of benzene by the LCAO MO method

✍ Scribed by L. S. Markova; A. F. Terpugova

Book ID
112415515
Publisher
Springer
Year
1968
Tongue
English
Weight
198 KB
Volume
11
Category
Article
ISSN
1573-9228

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LCAO-MO-calculations on the enol form of
LCAO-MO-calculations on the enol form of acetylacetone and its metal complexes: LCAO-MO-studies on molecular structure III
✍ Peter Schuster 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 295 KB

## Energy surfaces descrlbmg the motion of the hydrogen bonded proton or the metal atom m the en01 form of acetylacetone and its Li complex were calculated by a semtemptrical LCAO-MO-SCF procedure for all valence electrons (CNDO/B). CNDO/Z calculattons on the structure of the Be complex of aceeyl