@article{ISI:000254129500027,
 abstract = {We report the binding energy of various nucleobases (guanine (G),
adenine (A), thymine ( T) and cytosine ( C)) with (5,5) single-walled
carbon nanotube(SWNT) calculated using first-principle Hartre-Fock
method (HF) together with classical force field. The binding energy
without including the solvation effects of water decreases in the order
G > A > T > C. The inclusion of solvation energy changes the order of
binding preference to be G > T > A > C. Using isothermal titration
(micro) calorimetry experiments, we also show the relative binding
affinity to be T > A > C, in agreement with our calculations. (c) 2008
Elsevier B. V. All rights reserved.},
 author = {Das, Anindya and Sood, A. K. and Maiti, Prabal K. and Das, Mili and
Varadarajan, R. and Rao, C. N. R.},
 doi = {10.1016/j.cplett.2008.01.057},
 eissn = {1873-4448},
 issn = {0009-2614},
 journal = {CHEMICAL PHYSICS LETTERS},
 month = {MAR 3},
 number = {4-6},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136
Rao, C.N.R./0000-0003-4088-0615
Das, Mili/0000-0003-3834-2287},
 pages = {266-273},
 researcherid-numbers = {Das, Mili/AAN-2970-2020
Maiti, Prabal/B-6335-2009
Rao, C.N.R./B-1569-2009
},
 times-cited = {83},
 title = {Binding of nucleobases with single-walled carbon nanotubes: Theory and
experiment},
 unique-id = {ISI:000254129500027},
 volume = {453},
 year = {2008}
}