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Computational Study of Hydrogen-Bonded Complexes between the Most Stable Tautomers of Glycine and Uracil

✍ Scribed by Da̧bkowska, Iwona; Rak, Janusz; Gutowski, Maciej


Book ID
126793491
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
304 KB
Volume
106
Category
Article
ISSN
1089-5639

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✍ H. Chuan Kang 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 443 KB

The structures of the weakly bonded complexes X-C12 and X-HCI, where X is either C2H 4 or C2H2, are studied using density functional, hybrid density functional, Hartree-Fock and MP2 calculations. While most of the methods used give reasonable agreement with experimental data for bond lengths, the pe