research article
Theoretical investigation of structure and properties of tetraaminoethylene by ab initio and density functional theory methods
he mol. structures were calcd. for tetraaminoethylene (1)and its isomer 2,2-diaminoacetamidine (2)in the frameworks of DFT and MP2 methods. Ionization potential, potential energy surface, dissocn. energy onto aminocarbenes, and transition state structure in the protonation reaction path are also reported for 1.
Type
research article
Author(s)
Date Issued
2000
Published in
Volume
41
Start page
315
End page
318
Peer reviewed
REVIEWED
Written at
EPFL
EPFL units
Available on Infoscience
October 11, 2006
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