Structures and positive binding energies of glycine-2Li+ in the gas phase: A theoretical study on optimal reaction pathway and proton transfer induced by two lithium cations

Journal of Molecular Structure: THEOCHEM

Volumn 678, Issue 1-3, 2004, Pages 91-103

  Ai, Hongqi ^a   Bu, Yuxiang ^a,b   Li, Ping ^a   Chen, Zhida ^c   Hu, Xiangqian ^c  

^a SHANDONG UNIVERSITY   (China)

^b QUFU NORMAL UNIVERSITY   (China)

^c PEKING UNIVERSITY   (China)

Author keywords

Activation energy barrier; DFT calculations; Glycine 2Li+ isomers; Positive binding energy; Proton transfer

Indexed keywords

AMPHOLYTE; GLYCINE; LITHIUM ION; OXYGEN;

ARTICLE; CALCULATION; CHEMICAL BINDING; CHEMICAL STRUCTURE; COMPLEX FORMATION; GEOMETRY; ISOMER; PROTON TRANSPORT; REACTION ANALYSIS; THEORETICAL STUDY;

EID: 2442520290     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.03.016     Document Type: Article

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