Investigation on the chemical active sites of copper nanoclusters as nanocatalyst for the adsorption of acetylene: calibration of DFT method and basis set-Reference-Cited by-同舟云学术

Investigation on the chemical active sites of copper nanoclusters as nanocatalyst for the adsorption of acetylene: calibration of DFT method and basis set

Published:2016-02-13 Issue:3 Volume:135 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Farmanzadeh Davood,Abdollahi Tahereh

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-016-1806-z.pdf

Reference55 articles.

1. Kuang X, Wang X, Liu G (2010) All-electron relativistic calculations on hydrogen atom adsorption onto small copper clusters. Transit Met Chem 35(7):841–850

2. Kuang X-J, Wang X-Q, Liu G-B (2011) A density functional study on the adsorption of hydrogen molecule onto small copper clusters. J Chem Sci 123(5):743–754

3. Lecoultre S, Rydlo A, Félix C, Buttet J, Gilb S, Harbich W (2011) UV–visible absorption of small gold clusters in neon: Aun (n 1–5 and 7–9). J Chem Phys 134:074302

4. Lecoultre S, Rydlo A, Félix C, Buttet J, Gilb S, Harbich W (2011) Optical absorption of small copper clusters in neon: Cun, (n 1–9). J Chem Phys 134(7):1–9

5. Muniz-Miranda F (2014) Assessment of exchange-correlation functionals in reproducing the structure and optical gap of organic-protected gold nanoclusters. J Phys 118:7532–7544

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