Chem Sci Trans., 2019, 8(3),  pp 318- 330  
DOI:10.7598/cst2019.1575

Research Article

Quantum Chemical Investigations on the Structure, Bonding Orbitals, Frontier Molecular Orbitals and Reactivity Properties of Diphenylguanidine - Vulcanizing Accelerator

V. K. VIJAYAN¹, E. PURUSHOTHAMAN¹, V. ARJUNAN^2,3* and S. MOHAN⁴

¹Department of Chemistry, University of Calicut, Calicut-673635, Kerala, India
²Department of Chemistry, Kanchi Mamunivar Centre for Post-Graduate Studies, Puducherry 605 008, India
³Rajiv Gandhi Arts and Science College, Thavalakuppam, Puducherry 605 007, India
⁴Department of Physics, S.A. Engineering College, Thiruverkadu, Chennai 600077, India