Roman V. Tsyshevsky: search on Z-Library

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1

Adsorption and Destruction of the G-Series Nerve Agent Simulant Dimethyl Methylphosphonate on Zinc Oxide

Holdren, Scott, Tsyshevsky, Roman, Fears, Kenan, Owrutsky, Jeffrey, Wu, Tao, Wang, Xizheng, Eichhorn, Bryan W., Kuklja, Maija M., Zachariah, Michael R.

Journal:

Year:

2018

Language:

english

File:

PDF, 2.65 MB

english, 2018

2

Effect of halogen substituents on C–N bond strength in nitromethane

Grigorii M. Khrapkovskii, Alexander G. Shamov, Roman V. Tsyshevsky, Denis V. Chachkov, Daniil L. Egorov, Ilia V. Aristov

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 705 KB

english, 2012

3

Decomposition Mechanisms and Kinetics of Novel Energetic Molecules BNFF-1 and ANFF-1: Quantum-Chemical Modeling

Tsyshevsky, Roman, Kuklja, Maija

Journal:

Year:

2013

Language:

english

File:

PDF, 8.83 MB

english, 2013

4

Comprehensive End-to-End Design of Novel High Energy Density Materials: I. Synthesis and Characterization of Oxadiazole Based Heterocycles

Tsyshevsky, Roman, Pagoria, Philip F., Zhang, Maoxi, Racoveanu, Ana, Parrish, Damon A., Smirnov, Aleksandr S., Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.46 MB

english, 2017

5

Manifestations of two-dimensional electron gas in molecular crystals

Kuklja, Maija M., Sharia, Onise, Tsyshevsky, Roman

Journal:

Surface Science

Year:

2017

Language:

english

File:

PDF, 915 KB

english, 2017

6

AIP Conference Proceedings [Author(s) SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter - Tampa Bay, Florida, USA (14–19 June 2015)] - Searching for new energetic materials: Computational design of novel nitro-substituted heterocyclic explosives

Tsyshevsky, Roman V., Pagoria, Philip, Kuklja, Maija M.

Year:

2017

Language:

english

File:

PDF, 704 KB

english, 2017

7

Energies of Electronic Transitions of Pentaerythritol Tetranitrate Molecules and Crystals

Tsyshevsky, Roman V., Sharia, Onise, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 3.67 MB

english, 2014

8

Thermal Decomposition Mechanisms of Nitroesters: Ab Initio Modeling of Pentaerythritol Tetranitrate

Tsyshevsky, Roman V., Sharia, Onise, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.79 MB

english, 2013

9

Electron Spectroscopy and Computational Studies of Dimethyl Methylphosphonate

Head, Ashley Rose, Tsyshevsky, Roman V., Trotochaud, Lena, Eichhorn, Bryan W., Kuklja, Maija M., Bluhm, Hendrik

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 2.18 MB

english, 2016

10

Photochemistry of the α-Al2O3-PETN Interface

Tsyshevsky, Roman, Zverev, Anton, Mitrofanov, Anatoly, Rashkeev, Sergey, Kuklja, Maija

Journal:

Year:

2016

Language:

english

File:

PDF, 3.93 MB

english, 2016

11

AIP Conference Proceedings [Author(s) SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter - Tampa Bay, Florida, USA (14–19 June 2015)] - Elucidation of high sensitivity of δ-HMX: New insight from first principles simulations

Kuklja, Maija M., Tsyshevsky, Roman V., Sharia, Onise

Year:

2017

Language:

english

File:

PDF, 969 KB

english, 2017

12

Estimations of activation and enthalpies of reaction for HONO elimination from C2–C4 mononitroalkanes: A theoretical study

Grigorii M. Khrapkovskii, Alexander G. Shamov, Roman V. Tsyshevsky, Denis V. Chachkov, Daniil L. Egorov, Ilia V. Aristov

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 296 KB

english, 2011

13

Surface-Accelerated Decomposition of δ-HMX

Sharia, Onise, Tsyshevsky, Roman, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.25 MB

english, 2013

14

3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole

Pagoria, Philip, Zhang, Maoxi, Racoveanu, Ana, DeHope, Alan, Tsyshevsky, Roman, Kuklja, Maija

Journal:

Year:

2014

Language:

english

File:

PDF, 111 KB

english, 2014

15

Coupling Ambient Pressure X-ray Photoelectron Spectroscopy with Density Functional Theory to Study Complex Surface Chemistry and Catalysis

Head, Ashley R., Trotochaud, Lena, Tsyshevsky, Roman, Fears, Kenan, Eichhorn, Bryan, Kuklja, Maija M., Bluhm, Hendrik

Journal:

Topics in Catalysis

Year:

2018

Language:

english

File:

PDF, 2.15 MB

english, 2018

16

Spectroscopic and Computational Investigation of Room-Temperature Decomposition of a Chemical Warfare Agent Simulant on Polycrystalline Cupric Oxide

Trotochaud, Lena, Tsyshevsky, Roman, Holdren, Scott, Fears, Kenan, Head, Ashley R., Yu, Yi, Karslıoğlu, Osman, Pletincx, Sven, Eichhorn, Bryan, Owrutsky, Jeffrey, Long, Jeffrey, Zachariah, Michael, Ku

Journal:

Chemistry of Materials

Year:

2017

Language:

english

File:

PDF, 2.34 MB

english, 2017

17

Sarin Decomposition on Pristine and Hydroxylated ZnO: Quantum-Chemical Modeling

Tsyshevsky, Roman, Holdren, Scott, Eichhorn, Bryan W., Zachariah, Michael R, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 1.36 MB

english, 2019

18

Formation enthalpies and bond dissociation enthalpies for C1–C4 mononitroalkanes by composite and DFT/B3LYP methods

Grigorii M. Khrapkovskii, Roman V. Tsyshevsky, Denis V. Chachkov, Daniil L. Egorov, Alexander G. Shamov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 541 KB

english, 2010

19

Searching for Low-Sensitivity Cast-Melt High-Energy-Density Materials: Synthesis, Characterization, and Decomposition Kinetics of 3,4-Bis(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole-2-oxide

Tsyshevsky, Roman, Pagoria, Philip, Zhang, Maoxi, Racoveanu, Ana, DeHope, Alan, Parrish, Damon, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.88 MB

english, 2015

20

The Role of Hydrogen Abstraction Reaction in Photocatalytic Decomposition of High Energy Density Materials

Tsyshevsky, Roman V., Zverev, Anton S, Mitrofanov, Anatoly Y., Ilyakova, Natalya N., Kostyanko, Mikhail V., Luzgarev, Sergey V., Garifzianova, Guzel G., Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 6.05 MB

english, 2016

21

Comprehensive End-to-End Design of Novel High Energy Density Materials: III. Fused Heterocyclic Energetic Compounds

Tsyshevsky, Roman, Smirnov, Aleksandr S., Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 1.75 MB

2019

22

Methane elimination from n-pentane

Roman V. Tsyshevsky, Guzel G. Garifzianova, Alexander G. Shamov, Grigorii M. Khrapkovskii

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 195 KB

english, 2009

23

Can a Photosensitive Oxide Catalyze Decomposition of Energetic Materials?

Wang, Fenggong, Tsyshevsky, Roman, Zverev, Anton, Mitrofanov, Anatoly, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.87 MB

english, 2017

24

Computational Study of Main Mechanisms for Gas-Phase Decomposition of 1,1- and 1,2-Dinitroethane

Tsyshevsky, Roman V., Aristov, Ilia V., Chachkov, Denis V., Shamov, Alexander G., Khrapkovskii, Grigorii M.

Journal:

Journal of Energetic Materials

Year:

2010

Language:

english

File:

PDF, 805 KB

english, 2010

25

Room Temperature Decomposition of Dimethyl Methylphosphonate on Cuprous Oxide Yields Atomic Phosphorus

Trotochaud, Lena, Head, Ashley R., Büchner, Christin, Yu, Yi, Karslıoğlu, Osman, Tsyshevsky, Roman, Holdren, Scott, Eichhorn, Bryan, Kuklja, Maija M., Bluhm, Hendrik

Journal:

Surface Science

Year:

2018

Language:

english

File:

PDF, 1.66 MB

english, 2018

26

Adsorption of Dimethyl Methylphosphonate on MoO 3 : The Role of Oxygen Vacancies

Head, Ashley R., Tsyshevsky, Roman, Trotochaud, Lena, Yu, Yi, Kyhl, Line, Karslıoǧlu, Osman, Kuklja, Maija M., Bluhm, Hendrik

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.59 MB

english, 2016

27

Comprehensive End-to-End Design of Novel High Energy Density Materials: II. Computational Modeling and Predictions

Tsyshevsky, Roman, Pagoria, Philip F., Smirnov, Aleksandr S., Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.88 MB

english, 2017

28

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

Tsyshevsky, Roman, Sharia, Onise, Kuklja, Maija

Journal:

Year:

2016

Language:

english

File:

PDF, 2.38 MB

english, 2016

29

Adsorption and decomposition of dimethyl methylphosphonate on size-selected (MoO 3 ) 3 clusters

Tang, Xin, Hicks, Zachary, Wang, Linjie, Ganteför, Gerd, Bowen, Kit H., Tsyshevsky, Roman, Sun, Jianwei, Kuklja, Maija M.

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.52 MB

english, 2018

30

Defect states at organic–inorganic interfaces: Insight from first principles calculations for pentaerythritol tetranitrate on MgO surface

Tsyshevsky, Roman V., Rashkeev, Sergey N., Kuklja, Maija M.

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 1.92 MB

english, 2015

31

Theoretical Study of the Tautomeric Reactions of Dinitromethane and Its Radical Cation

Tsyshevsky, Roman V., Garifzianova, Guzel G., Chachkov, Denis V., Shamov, Alexander G., Khrapkovskii, Grigorii M.

Journal:

Journal of Energetic Materials

Year:

2009

Language:

english

File:

PDF, 595 KB

english, 2009

32

AIP Conference Proceedings [Author(s) SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter - Tampa Bay, Florida, USA (14–19 June 2015)] - Achieving tunable sensitivity in composite high-energy density materials

Kuklja, Maija M., Tsyshevsky, Roman V., Rashkeev, Sergey

Year:

2017

Language:

english

File:

PDF, 701 KB

english, 2017

33

Comprehensive End-to-End Design of Novel High Energy Density Materials: III. Fused Heterocyclic Energetic Compounds

Tsyshevsky, Roman, Smirnov, Aleksandr S., Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 1.75 MB

english, 2019

34

Effect of Polar Surfaces on Decomposition of Molecular Materials

Kuklja, Maija M., Tsyshevsky, Roman V., Sharia, Onise

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 1.69 MB

english, 2014

35

Theoretical study of ethene hydrogenation reaction on Ir4 tetrahedral cluster

Roman V. Tsyshevsky, Guzel G. Garifzianova, Ilia V. Aristov, Alexander G. Shamov, Grigorii M. Khrapkovskii

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 432 KB

english, 2011

36

Mechanisms of Degradation of Toxic Nerve Agents: Quantum-chemical Insight into Interactions of Sarin and Soman with Molybdenum Dioxide

Tsyshevsky, Roman, Head, Ashley R., Trotochaud, Lena, Bluhm, Hendrik, Kuklja, Maija M.

Journal:

Surface Science

Year:

2020

File:

PDF, 1.13 MB

2020

37

Optical Absorption Energies of Molecular Defects in Pentaerythritol Tetranitrate Crystals: Quantum Chemical Modeling

Tsyshevsky, Roman V., Sharia, Onise, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.75 MB

english, 2014

38

Computational Design of Novel Energetic Materials: Dinitro-bis-triazolo-tetrazine

Tsyshevsky, Roman V., Pagoria, Philip, Kuklja, Maija M.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.34 MB

english, 2015

39

Dimethyl methylphosphonate adsorption and decomposition on MoO 2 as studied by ambient pressure x-ray photoelectron spectroscopy and DFT calculations

Head, Ashley R, Tsyshevsky, Roman, Trotochaud, Lena, Yu, Yi, Karslıoǧlu, Osman, Eichhorn, Bryan, Kuklja, Maija M, Bluhm, Hendrik

Journal:

Journal of Physics Condensed Matter

Year:

2018

Language:

english

File:

PDF, 1.71 MB

english, 2018

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