Publication Type : Conference Paper
Publisher : 2015 International Conference on Advances in Computing, Communications and Informatics, ICACCI 2015
Source : 2015 International Conference on Advances in Computing, Communications and Informatics, ICACCI 2015, Institute of Electrical and Electronics Engineers Inc., p.335-338 (2015)
Keywords : benzene, Charged state, Computation theory, Computational studies, Density functional computations, Density functional theory, DFT study, Information science, Mechanical device, Nanomechanical device, Pyranone-Benzene cluster, Relative orientation
Campus : Amritapuri
School : School of Arts and Sciences
Department : Chemistry
Year : 2015
Abstract : Computational studies were carried out on Pyranone Benzene clusters at different charged states using density functional theory. The relative orientation of the two molecules depends on the charged state of the complex and this property can be utilized in designing nano-mechanical devices such as flippers or switches. © 2015 IEEE.
Cite this Research Publication : Bindu P. Nair, T.K. Manojkumar, Dr. Sreedhar K. M., A.V. Mohamed, and Z. Hukuman, “Pyranone Benzene complexes as potential nano-flippers: A DFT study”, in 2015 International Conference on Advances in Computing, Communications and Informatics, ICACCI 2015, 2015, pp. 335-338.