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Tandabany Dinadayalane
Tandabany Dinadayalane
Professor of Chemistry, Clark Atlanta University
Verified email at icnanotox.org
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Cited by
Year
Advancing risk assessment of engineered nanomaterials: application of computational approaches
A Gajewicz, B Rasulev, TC Dinadayalane, P Urbaszek, T Puzyn, ...
Advanced drug delivery reviews 64 (15), 1663-1693, 2012
2652012
Remarkable diversity of carbon–carbon bonds: structures and properties of fullerenes, carbon nanotubes, and graphene
TC Dinadayalane, J Leszczynski
Structural Chemistry 21, 1155-1169, 2010
1732010
Comprehensive Study on the Solvation of Mono- and Divalent Metal Cations: Li+, Na+, K+, Be2+, Mg2+ and Ca2+
JS Rao, TC Dinadayalane, J Leszczynski, GN Sastry
The Journal of Physical Chemistry A 112 (50), 12944-12953, 2008
1462008
Reactivities of sites on (5, 5) single-walled carbon nanotubes with and without a Stone-Wales defect
TC Dinadayalane, JS Murray, MC Concha, P Politzer, J Leszczynski
Journal of Chemical Theory and Computation 6 (4), 1351-1357, 2010
1452010
Diels−Alder Reactivity of Butadiene and Cyclic Five-Membered Dienes ((CH)4X, X = CH2, SiH2, O, NH, PH, and S) with Ethylene:  A Benchmark Study
TC Dinadayalane, R Vijaya, A Smitha, GN Sastry
The Journal of Physical Chemistry A 106 (8), 1627-1633, 2002
1032002
Stone–Wales defects with two different orientations in (5, 5) single-walled carbon nanotubes: a theoretical study
TC Dinadayalane, J Leszczynski
Chemical physics letters 434 (1-3), 86-91, 2007
982007
Chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes
TC Dinadayalane, A Kaczmarek, J Łukaszewicz, J Leszczynski
The Journal of Physical Chemistry C 111 (20), 7376-7383, 2007
962007
Exploration of C6H6 Potential Energy Surface:  A Computational Effort to Unravel the Relative Stabilities and Synthetic Feasibility of New Benzene Isomers
TC Dinadayalane, UD Priyakumar, GN Sastry
The Journal of Physical Chemistry A 108 (51), 11433-11448, 2004
942004
Comprehensive theoretical study towards the accurate proton affinity values of naturally occurring amino acids
TC Dinadayalane, GN Sastry, J Leszczynski
International journal of quantum chemistry 106 (14), 2920-2933, 2006
712006
Surface reactivity for chlorination on chlorinated (5, 5) armchair SWCNT: a computational approach
S Saha, TC Dinadayalane, JS Murray, D Leszczynska, J Leszczynski
The Journal of Physical Chemistry C 116 (42), 22399-22410, 2012
652012
Open and capped (5, 5) armchair SWCNTs: a comparative study of DFT-based reactivity descriptors
S Saha, TC Dinadayalane, D Leszczynska, J Leszczynski
Chemical Physics Letters 541, 85-91, 2012
512012
Geometries and stabilities of various configurations of benzene dimer: details of novel V-shaped structure revealed
TC Dinadayalane, J Leszczynski
Structural Chemistry 20, 11-20, 2009
502009
Fundamental structural, electronic, and chemical properties of carbon nanostructures: graphene, fullerenes, carbon nanotubes, and their derivatives
TC Dinadayalane, J Leszczynski
Handbook of computational chemistry 2, 793-867, 2012
472012
DFT-based reactivity study of (5, 5) armchair boron nitride nanotube (BNNT)
S Saha, TC Dinadayalane, D Leszczynska, J Leszczynski
Chemical Physics Letters 565, 69-73, 2013
412013
Effect of tube length on the chemisorptions of one and two hydrogen atoms on the sidewalls of (3, 3) and (4, 4) single‐walled carbon nanotubes: A theoretical study
A Kaczmarek, TC Dinadayalane, J Łukaszewicz, J Leszczynski
International Journal of Quantum Chemistry 107 (12), 2211-2219, 2007
362007
Computational study on C− H… π interactions of acetylene with benzene, 1, 3, 5-trifluorobenzene and coronene
TC Dinadayalane, G Paytakov, J Leszczynski
Journal of molecular modeling 19 (7), 2855-2864, 2013
352013
Do Stone–Wales defects alter the magnetic and transport properties of single-walled carbon nanotubes?
J Wu, F Hagelberg, TC Dinadayalane, D Leszczynska, J Leszczynski
The Journal of Physical Chemistry C 115 (45), 22232-22241, 2011
352011
Structures and Energetics of the Cation−π Interactions of Li+, Na+, and K+ with Cup-Shaped Molecules: Effect of Ring Addition to Benzene and Cavity Selectivity
TC Dinadayalane, D Afanasiev, J Leszczynski
The Journal of Physical Chemistry A 112 (34), 7916-7924, 2008
352008
A theoretical study of cation--π interactions: Li+, Na+, K+, Be2+, Mg2+ and Ca2+ complexation with mono- and bicyclic ring-fused benzene derivatives
TC Dinadayalane, A Hassan, J Leszczynski
Theoretical Chemistry Accounts 131, 1-11, 2012
332012
Isolated pentagon rule in buckybowls: a computational study on thermodynamic stabilities and bowl-to-bowl inversion barriers
TC Dinadayalane, GN Sastry
Tetrahedron 59 (42), 8347-8351, 2003
322003
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