(1) Prediction of pKa from basic principles: Ab initio and DFT studies on some molecules. P. Hazarika, R.L. Sarma, M. Karim, B. Bezbaruah, R. Kalita, and C. Medhi. Indian Journal of Chemistry, 2009, 48A, 520-525.

(2) The compatibility of molecular structures of diphenyl diamines drugs with minor groove of DNA and the importance of cationic amidine group in DNA binding. B. Bezbaruah, R. Kalita, P. Hazarika and C. Medhi, Sciencia Acta Xeverianaa, 2009, 1(1), 1-18

(3) Ab initio molecular orbital and force field calculations on the interaction of daunomycin with GC base-pair and intercalation within DNA. R.L. Sharma, R. Kalita, M. Karim, B. Bezbaruah, and C. Medhi. Indian Journal of Chemistry, 2009, 47B, 1605-1610.

(4) Is DFT method useful for analysis of sequence specificity of bases in nucleic acid? R. Parajuli, R. Kalita, and C. Medhi. Indian Journal of Chemistry, 2006, 45B, 782-791.

(5) Are there variations in hydrogen bonding abilities of Watson-Crick Region and other donor-acceptor sites of nucleobases? An ab initio method of Studying proton and metal-ion affinities of nucleobases. D. Talukdar, R. Parajuli, R. Kalita, and C. Medhi. Indian Journal of Chemistry, 2006, 45A, 1804-1812.