DFT analysis of coordination polymer ligands: unraveling the electrostatic properties and their effect on CO2 interaction-Reference-Cited by-同舟云学术

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DFT analysis of coordination polymer ligands: unraveling the electrostatic properties and their effect on CO2 interaction

Published:2015-09-21 Issue:6-7 Volume:21 Page:533-546
ISSN:0929-5607
Container-title:Adsorption
language:en
Short-container-title:Adsorption

Author:

Meza-Morales Paul J.,Santana-Vargas Alberto,Curet-Arana María C.

Funder

National Science Foundation

National Aeronautics and Space Administration

Publisher

Springer Science and Business Media LLC

Subject

Surfaces and Interfaces,General Chemical Engineering,General Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s10450-015-9692-6.pdf

Reference84 articles.

1. Bae, Y.-S., Snurr, R.Q.: Development and evaluation of porous materials for carbon dioxide separation and capture. Angew. Chem. Int. Ed. Engl. 50, 11586–11596 (2011)

2. Bae, Y.-S., Moon, J.-H., Ahn, H., Lee, C.-H.: Effects of adsorbate properties on adsorption mechanism in a carbon molecular sieve. Korean J. Chem. Eng. 21, 712–720 (2004)

3. Baei, M.: DFT study of CO2 adsorption on the Zn12O12 nano-cage. Bull. Korean Chem. Soc. 34, 3722–3726 (2013)

4. Bakowies, D., Thiel, W.: Hybrid models for combined quantum mechanical and molecular mechanical approaches. J. Phys. Chem. 3654, 10580–10594 (1996)

5. Barter, R.M.: Specificity in physical sorption. J. Colloid Interface Sci. 21, 415–434 (1966)

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