Theoretical description of electromagnetic nonbonded interactions of radical, cationic, and anionic NH<inf>2</inf>BHNBHNH<inf>2</inf>inside of the B<inf>18</inf>N<inf>18</inf>nanoring

• Main Authors: M. Monajjemi, V. S. Lee, M. Khaleghian, B. Honarparvar, F. Mollaamin
• Format: Journal
• Published: 2018
• Subjects: Chemistry; Energy; Materials Science
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77956527178&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/50660
• Institution: Chiang Mai University

The electromagnetic nonbounded interactions of the NH2BHNBHNH2molecule inside of the B18N18ring have been investigated with hybrid density functional theory (B3LYP) using the EPR-III and EPR-II basis sets for a physicochemical explanation of electromagnetic nonbounded interactions within these nanos...