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Tandabany Dinadayalane
Title Dr.
Faculty Rank Associate Professor
Degree Ph.D.
Institution Clark Atlanta University
Department Chemistry
Clusters Genes and Environmental Health/Toxicology
Informatics
Other
Address
223 James P. Brawley Drive S.W.
Department of Chemistry
City Atlanta
State GA
Postal Code 30314
Telephone 404-880-6969
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1. Herath D, Dinadayalane T. Computational investigation of double nitrogen doping on graphene. J Mol Model. 2017 Dec 22; 24(1):26.
2. Mirchi A, Sizochenko N, Dinadayalane T, Leszczynski J. Binding of Alkali Metal Ions with 1,3,5-Tri(phenyl)benzene and 1,3,5-Tri(naphthyl)benzene: The Effect of Phenyl and Naphthyl Ring Substitution on Cation-p Interactions Revealed by DFT Study. J Phys Chem A. 2017 Nov 22; 121(46):8927-8938.
3. Paytakov G, Dinadayalane T, Leszczynski J. Toward selection of efficient density functionals for van der Waals molecular complexes: comparative study of C-H···p and N-H···p interactions. J Phys Chem A. 2015 Feb 19; 119(7):1190-200.
4. Hassan A, Dinadayalane TC, Grabowski SJ, Leszczynski J. Structural, energetic, spectroscopic and QTAIM analyses of cation-p interactions involving mono- and bi-cyclic ring fused benzene systems. Phys Chem Chem Phys. 2013 Dec 28; 15(48):20839-56.
5. Dinadayalane TC, Paytakov G, Leszczynski J. Computational study on C-H...p interactions of acetylene with benzene, 1,3,5-trifluorobenzene and coronene. J Mol Model. 2013 Jul; 19(7):2855-64.
6. Gajewicz A, Rasulev B, Dinadayalane TC, Urbaszek P, Puzyn T, Leszczynska D, Leszczynski J. Advancing risk assessment of engineered nanomaterials: application of computational approaches. Adv Drug Deliv Rev. 2012 Dec; 64(15):1663-93.
7. Dinadayalane TC, Leszczynski J. In the pursuit of small "red shift" of C-H stretching vibrational frequency of C-H...pi interactions for benzene dimer: How to amend MP2 calculations to reproduce the experimental results. J Chem Phys. 2009 Feb 28; 130(8):081101.
8. Rao JS, Dinadayalane TC, Leszczynski J, Sastry GN. Comprehensive study on the solvation of mono- and divalent metal cations: Li+, Na+, K+, Be2+, Mg2+ and Ca2+. J Phys Chem A. 2008 Dec 18; 112(50):12944-53.
9. Dinadayalane TC, Afanasiev D, Leszczynski J. Structures and energetics of the cation-pi interactions of Li+, Na+, and K+ with cup-shaped molecules: effect of ring addition to benzene and cavity selectivity. J Phys Chem A. 2008 Aug 28; 112(34):7916-24.
10. Dinadayalane TC, Gayatri G, Sastry GN, Leszczynski J. Competitive Diels-Alder reactions: cyclopentadiene and phospholes with butadiene. J Phys Chem A. 2005 Oct 20; 109(41):9310-23.
11. Dinadayalane TC, Deepa S, Reddy AS, Sastry GN. Density functional theory study on the effect of substitution and ring annelation to the rim of corannulene. J Org Chem. 2004 Nov 12; 69(23):8111-4.
12. Dinadayalane TC, Sastry GN. Structure-energy relationships in curved polycyclic aromatic hydrocarbons: study of benzocorannulenes. J Org Chem. 2002 Jun 28; 67(13):4605-7.

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Keywords
Benzene
Thermodynamics
Acetylene
Fluorobenzenes
Polycyclic Compounds
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