Electronic, bonding, and optical properties of 1d [CuCN]n(n = 1-10) chains, 2d [CuCN]n(n = 2-10) nanorings, and 3d [Cun(CN)n]m(n = 4,m = 2, 3;n = 10,m = 2) tubes studied by DFT/TD-DFT methods-Reference-Cited by-同舟云学术

Electronic, bonding, and optical properties of 1d [CuCN]n(n = 1-10) chains, 2d [CuCN]n(n = 2-10) nanorings, and 3d [Cun(CN)n]m(n = 4,m = 2, 3;n = 10,m = 2) tubes studied by DFT/TD-DFT methods

Published:2015-04-23 Issue:17 Volume:36 Page:1334-1347
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Tsipis Athanassios C.¹,Stalikas Alexandros V.¹

Affiliation:

1. Department of Chemistry; Laboratory of Inorganic and General Chemistry; University of Ioannina; 451 10 Ioannina Greece

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23932/fullpdf

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2. The Structure of Solid Copper(I) Cyanide: A Multinuclear Magnetic and Quadrupole Resonance Study

3. Synthetic Routes to Ga(CN)3 and MGa(CN)4 (M = Li, Cu) Framework Structures

4. Mechanism of decomposition of cuprous cyanide. Infrared and thermal evidence

5. Vibrationally resolved photoelectron spectra of CuCN−and AgCN−andab initiostudies of the structure and bonding in CuCN

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