Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
2015 / 7 Vol. 134; Iss. 7
CO adsorption complexes in zeolites: How does the inclusion of dispersion interactions affect predictions made from DFT calculations? The case of Na-CHA
Fischer, Michael, Delgado, Montserrat Rodríguez, Areán, Carlos Otero, Duran, Clara OliverVolume:
134
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-015-1692-9
Date:
July, 2015
File:
PDF, 1.61 MB
english, 2015