Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09. - Karunakaran Remya; Cherumuttathu H. Suresh (J. Comput. Chem., 2013)

Cooperativity and cluster growth patterns in acetonitrile: A DFT study. - Karunakaran Remya; Cherumuttathu H. Suresh (J. Comput. Chem., 2014)