| 1 |
Structural, energetic and tautomeric properties of the T.T*/T*.T DNA mismatch involving mutagenic tautomer of thymine: A QM and QTAIM insight
Brovarets' OO, Zhurakivsky RO, Hovorun DM
Chemical Physics Letters, 592, 247, 2014 |
| 2 |
The physico-chemical mechanism of the tautomerisation via the DPT of the long Hyp*center dot Hyp Watson-Crick base pair containing rare tautomer: A QM and QTAIM detailed look
Brovarets OO, Zhurakivsky RO, Hovorun DM
Chemical Physics Letters, 578, 126, 2013 |
| 3 |
Ab initio comprehensive conformational analysis of 2'-Deoxyuridine, the biologically significant DNA minor nucleoside, and reconstruction of its low-temperature matrix infrared spectrum
Yurenko YP, Zhurakivsky RO, Ghomi M, Samifflenko SP, Hovorun DM
Journal of Physical Chemistry B, 112(4), 1240, 2008 |
| 4 |
The whole of intramolecular H-bonding in the isolated DNA nucleoside thymidine. AIM electron density topological study
Yurenko YP, Zhurakivsky RO, Samijlenko SP, Ghomi M, Hovorun DM
Chemical Physics Letters, 447(1-3), 140, 2007 |
| 5 |
Comprehensive conformational analysis of the nucleoside analogue 2'-beta-deoxy-6-azacytidine by DFT and MP2 calculations
Yurenko YP, Zhurakivsky RO, Ghomi M, Samijlenko SP, Hovorun DM
Journal of Physical Chemistry B, 111(22), 6263, 2007 |
| 6 |
How many conformers determine the thymidine low-temperature matrix infrared spectrum? DFT and MP2 quantum chemical study
Yurenko YP, Zhurakivsky RO, Ghomi M, Samijlenko SP, Hovorun DM
Journal of Physical Chemistry B, 111(32), 9655, 2007 |
