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An ab Initio Quantum Mechanical Study of Hydrogen-Bonded Complexes of Biological Interest

✍ Scribed by Huang, Niu; MacKerell, Alexander D.


Book ID
120606609
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
102 KB
Volume
106
Category
Article
ISSN
1089-5639

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The structure and propertIes of three lithmm-bonded complexes. HsN.. LIH, CzHa... LW, CzH, .-LiH, and tire hydrogenbonded analogues. H,N ..HF and CzHz J-IF, hare been investigated at the SCF double-zeta plus polarization Ievel. The changes of several properties of LI-bonded comple\es as a function o