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A. T. Duysebekova
Quantum chemical studyof freeand coordinatemoleculesand complexes ofamideswithmercuric
acetatepropionamide
Abstract
Quantum-chemicalmethods theelectronicstructure and reactivity offree andcoordinatedmoleculesandfatty acid amidecomplexwithmercuric acetatepropionamide. The geometric, energetic parameters. Observedconformational changeof the moleculesandfatty acid amidecomplexwithmercuric acetatepropionamideincomplexation.
Key words: quantum chemical research, heat
of formation, top occupied molecular orbital, bottom vacant molecular orbital,
an atom charge, bond energy.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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