Publication Type:

Conference Paper

Source:

2015 International Conference on Advances in Computing, Communications and Informatics, ICACCI 2015, Institute of Electrical and Electronics Engineers Inc., p.335-338 (2015)

ISBN:

9781479987917

URL:

http://www.scopus.com/inward/record.url?eid=2-s2.0-84946198698&partnerID=40&md5=b9801be8389c46f9d1df20096ce49cbe

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

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.

Notes:

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

Cite this Research Publication

B. Pa Nair, Manojkumar, T. Kb, K.M.c Sreedhar, Mohamed, A. Va, and Hukuman, Za, “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.