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.
cited By 0; Conference of International Conference on Advances in Computing, Communications and Informatics, ICACCI 2015 ; Conference Date: 10 August 2015 Through 13 August 2015; Conference Code:115835
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.