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1

Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration

Furmanchuk, Al'ona, Isayev, Olexandr, Gorb, Leonid, Shishkin, Oleg V., Hovorun, Dmytro M., Leszczynski, Jerzy

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.76 MB

english, 2011

2

New insight on structural properties of hydrated nucleic acid bases from ab initio molecular dynamics

Furmanchuk, Al'ona, Shishkin, Oleg V., Isayev, Olexandr, Gorb, Leonid, Leszczynski, Jerzy

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.38 MB

english, 2010

3

Mechanical properties of silicon nanowires

Al'ona Furmanchuk, Olexandr Isayev, Tandabany C. Dinadayalane, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2012

Language:

english

File:

PDF, 584 KB

english, 2012

4

Morphology and Optical Response of Carbon Nanotubes Functionalized by Conjugated Polymers

Furmanchuk, Al’ona, Leszczynski, Jerzy, Tretiak, Sergei, Kilina, Svetlana V.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.65 MB

english, 2012

5

In Situ Scanning Electron Microscope Peeling To Quantify Surface Energy between Multiwalled Carbon Nanotubes and Graphene

Roenbeck, Michael R., Wei, Xiaoding, Beese, Allison M., Naraghi, Mohammad, Furmanchuk, Al’ona, Paci, Jeffrey T., Schatz, George C., Espinosa, Horacio D.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.44 MB

english, 2014

6

Inherent carbonaceous impurities on arc-discharge multiwalled carbon nanotubes and their implications for nanoscale interfaces

An, Zhi, Furmanchuk, Al’ona, Ramachandramoorthy, Rajaprakash, Filleter, Tobin, Roenbeck, Michael R., Espinosa, Horacio D., Schatz, George C., Nguyen, SonBinh T.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.49 MB

english, 2014

7

Car–Parrinello Molecular Dynamics Simulations of Tensile Tests on Si⟨001⟩ Nanowires

Furmanchuk, Al'ona, Isayev, Olexandr, Dinadayalane, Tandabany C., Leszczynski, Jerzy

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 6.29 MB

english, 2011

8

Systematic Effect of Benzo-Annelation on Oxo−Hydroxy Tautomerism of Heterocyclic Compounds. Experimental Matrix-Isolation and Theoretical Study

Gerega, Anna, Lapinski, Leszek, Nowak, Maciej J., Furmanchuk, Al'ona, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 204 KB

english, 2007

9

Are Isolated Nucleic Acid Bases Really Planar? A Car−Parrinello Molecular Dynamics Study

Isayev, Olexandr, Furmanchuk, Al'ona, Shishkin, Oleg V., Gorb, Leond, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 91 KB

english, 2007

10

Thio- versus oxo-derivatives of DNA bases: theoretical study on possible mutagenic effect of sulfur atom

Furmanchuk, Al'ona, Leszczynski, Jerzy

Journal:

Journal of Sulfur Chemistry

Year:

2008

Language:

english

File:

PDF, 668 KB

english, 2008

11

Shear and Friction between Carbon Nanotubes in Bundles and Yarns

Paci, Jeffrey T., Furmanchuk, Al’ona, Espinosa, Horacio D., Schatz, George C.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.56 MB

english, 2014

12

Electron induced single strand break and cyclization: a DFT study on the radiosensitization mechanism of the nucleotide of 8-bromoguanine

Chomicz, Lidia, Furmanchuk, Al'ona, Leszczynski, Jerzy, Rak, Janusz

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.57 MB

english, 2014

13

Hydration of nucleic acid bases: a Car–Parrinello molecular dynamics approach

Furmanchuk, Al’ona, Isayev, Olexandr, Shishkin, Oleg V., Gorb, Leonid, Leszczynski, Jerzy

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.63 MB

english, 2010

14

Molecular-Level Engineering of Adhesion in Carbon Nanomaterial Interfaces

Roenbeck, Michael R., Furmanchuk, Al’ona, An, Zhi, Paci, Jeffrey T., Wei, Xiaoding, Nguyen, SonBinh T., Schatz, George C., Espinosa, Horacio D.

Journal:

Year:

2015

Language:

english

File:

PDF, 2.17 MB

english, 2015

15

Multi-step mechanism of carbonization in templated polyacrylonitrile derived fibers: ReaxFF model uncovers origins of graphite alignment

Saha, Biswajit, Furmanchuk, Al’ona, Dzenis, Yuris, Schatz, George C.

Journal:

Year:

2015

Language:

english

File:

PDF, 7.87 MB

english, 2015

16

Molecularly Tunable Fluorescent Quantum Defects

Kwon, Hyejin, Furmanchuk, Al’ona, Kim, Mijin, Meany, Brendan, Guo, Yong, Schatz, George C., Wang, YuHuang

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 5.20 MB

english, 2016

17

Predictive analytics for crystalline materials: Bulk modulus

Furmanchuk, Al'ona, Agrawal, Ankit, Choudhary, Alok

Journal:

Year:

2016

Language:

english

File:

PDF, 1006 KB

english, 2016

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