College of Physics and Electronics, Shandong Normal University, Jinan ,Shandong 250014 ,China ...

Department of Chemistry and Biochemistry, City College of New York/CUNY, 160 Convent Avenue, New York, New York 10031, United States Graduate Program in Biochemistry, The Graduate Center, City ...

Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures ...