𝔖 Bobbio Scriptorium
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Orbital decimation in molecular systems with an AM1 Hamiltonian

✍ Scribed by Mauricio D. Coutinho-Neto; A. Arnóbio de S. da Gama

Book ID
113258215
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
544 KB
Volume
330
Category
Article
ISSN
0166-1280

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✍ Maged Khalil; Robert J. Woods; Donald F. Weaver; Vedene H. Smith Jr. 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 908 KB

The recent NMDO/M modification and parameterization of the MNDO molecular orbital method has been used to analyze intermolecular hydrogen bonding between amino acids and water, and intramolecular hydrogen bonding in monosaccharides. The results have been compared to AM1 calculations on the same syst