Quantum-chemical study of aminoacetic acid cyclic dimers

2016

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DOI 10.31489/2016ch4/33-37
Data confidence 70 medium
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Abstract

Quantum-chemical study of aminoacetic acid cyclic dimersCyclic dimers of aminoacetic acid were investigated by ab initio UHF 3-21G method using the Gaussian-2009 program.Four types of aminoacetic acid cyclic dimers were registered by quantum-chemical method.Comparative analysis of geometry, charge and energy parameters of aminoacetic acid dimers and individual molecule was performed.Complexation energy of studied dimers was estimated.