Zhou Chang-hu
2013
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Journal
Journal of Nanyang Institute of Technology
Abstract
The 1,2-diphenyl-2-( 1-phenylethylamino) ethanol has been calculated about quantum chemical using density functional theory at the B3LYP /6- 31G( d) level. The data of molecular orbital energies,bond lengths,bond angles and charge distribution have been obtained. It can be learned that the structure of 1,2-diphenyl-2-( 1-phenylethylamino) ethanol is stable,low activity and it hardly combines into hydrogen bonding by themselves,from which we draw a conclusion,the result can provide a theoretical basis for studying the crystal molecular's property of 1,2-diphenyl-2-( 1-phenylethylamino) ethanol.