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Role of quantum chemical calculations in molecular biophysics with a historical perspective

✍ Scribed by Alexander K. Kukushkin; Karl J. Jalkanen


Book ID
105886389
Publisher
Springer
Year
2009
Tongue
English
Weight
483 KB
Volume
125
Category
Article
ISSN
1432-2234

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Quantum chemical calculations of molecul
✍ G. WΓ³jcik; J. LipiΕ„ski; M. M. Szostak; M. Komorowska πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 299 KB

Energy differences between mnitrophenol (mNP) molecules in the gas phase and in two crystalline polymorphic forms-the optically non-linear orthorhombic and the centrosymmetric monoclinic formhave been found by the semiempirical all-valence modified INDO method. The calculations were performed for ne