Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane

• Tomsmith O. Unimuke,
• Hitler Louis,
• Ededet A. Eno,
• Ernest C. Agwamba,
• Adedapo S. Adeyinka

Affiliations

Tomsmith O. Unimuke

Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria

Hitler Louis

Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria

Ededet A. Eno

Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria

Ernest C. Agwamba

Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria

Adedapo S. Adeyinka

Research Centre for Synthesis and Catalysis, Department of Chemical Sciences, University of Johannesburg, Johannesburg, South Africa