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Year | Number of Results |
---|---|
2012 | 2 |
2013 | 2 |
2015 | 1 |
2017 | 2 |
2019 | 1 |
2024 | 0 |
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Page 1
Advancing risk assessment of engineered nanomaterials: application of computational approaches.
Adv Drug Deliv Rev. 2012 Dec;64(15):1663-93. doi: 10.1016/j.addr.2012.05.014. Epub 2012 Jun 1.
Adv Drug Deliv Rev. 2012.
PMID: 22664229
Review.
Computational investigation of double nitrogen doping on graphene.
Herath D, Dinadayalane T.
Herath D, et al. Among authors: dinadayalane t.
J Mol Model. 2017 Dec 22;24(1):26. doi: 10.1007/s00894-017-3560-0.
J Mol Model. 2017.
PMID: 29273911
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Data related to conformation dependence of tyrosine binding on the surface of graphene: Bent prefers over parallel orientation.
Daggag D, Lazare J, Dinadayalane T.
Daggag D, et al. Among authors: dinadayalane t.
Data Brief. 2019 Aug 22;26:104420. doi: 10.1016/j.dib.2019.104420. eCollection 2019 Oct.
Data Brief. 2019.
PMID: 31534991
Free PMC article.
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Computational study on C-H...π interactions of acetylene with benzene, 1,3,5-trifluorobenzene and coronene.
Dinadayalane TC, Paytakov G, Leszczynski J.
Dinadayalane TC, et al.
J Mol Model. 2013 Jul;19(7):2855-64. doi: 10.1007/s00894-012-1729-0. Epub 2012 Dec 18.
J Mol Model. 2013.
PMID: 23247410
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Toward selection of efficient density functionals for van der Waals molecular complexes: comparative study of C-H···π and N-H···π interactions.
Paytakov G, Dinadayalane T, Leszczynski J.
Paytakov G, et al. Among authors: dinadayalane t.
J Phys Chem A. 2015 Feb 19;119(7):1190-200. doi: 10.1021/jp511450u. Epub 2015 Feb 6.
J Phys Chem A. 2015.
PMID: 25606662
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Structural, energetic, spectroscopic and QTAIM analyses of cation-π interactions involving mono- and bi-cyclic ring fused benzene systems.
Hassan A, Dinadayalane TC, Grabowski SJ, Leszczynski J.
Hassan A, et al. Among authors: dinadayalane tc.
Phys Chem Chem Phys. 2013 Dec 28;15(48):20839-56. doi: 10.1039/c3cp53927j.
Phys Chem Chem Phys. 2013.
PMID: 24196371
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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-π Interactions Revealed by DFT Study.
Mirchi A, Sizochenko N, Dinadayalane T, Leszczynski J.
Mirchi A, et al. Among authors: dinadayalane t.
J Phys Chem A. 2017 Nov 22;121(46):8927-8938. doi: 10.1021/acs.jpca.7b08725. Epub 2017 Nov 8.
J Phys Chem A. 2017.
PMID: 29068230
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