Structure, electronic properties and chemical bonding in bis(1H-imidazolium-KN3)silver(I) nitrate from periodic DFT computations

Structure, electronic properties and chemical bonding in bis(1H-imidazolium-KN3)silver(I) nitrate from periodic DFT computations

Using the first-principles density functional theory calculations within the generalized gradient approximation we study the bis(1H-imidazolium- KN3)silver(I) nitrate molecular crystal. A number of different exchange-correlation functionals are considered for a possible treatment of the system. Perd...

Olles dieđut

Furkejuvvon:
Bibliográfalaš dieđut
Váldodahkki: Stashans, A. (author)
Eará dahkkit: Jacome, S. (author)
Materiálatiipa: article
Almmustuhtton: 2017
Fáttát:
chemical bonding
crystal structure
density functional theory
electronic properties
Liŋkkat:http://dspace.utpl.edu.ec/handle/123456789/19156
Fáddágilkorat: Lasit fáddágilkoriid
Eai fáddágilkorat, Lasit vuosttaš fáddágilkora!

Interneahtta

http://dspace.utpl.edu.ec/handle/123456789/19156

Geahča maid