Artem E. Masunov: search on Z-Library

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1

Theoretical Study of Urea and Thiourea. 2. Chains and Ribbons

Masunov, Artëm, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 85 KB

english, 2000

2

Dopant-mediated oxygen vacancy tuning in ceria nanoparticles

Babu, Suresh, Thanneeru, Ranjith, Inerbaev, Talgat, Day, Richard, Masunov, Artëm E, Schulte, Alfons, Seal, Sudipta

Journal:

Year:

2009

Language:

english

File:

PDF, 812 KB

english, 2009

3

Linear Photophysics and Femtosecond Nonlinear Spectroscopy of a Star-Shaped Squaraine Derivative with Efficient Two-Photon Absorption

Liu, Taihong, Bondar, Mykhailo V., Belfield, Kevin D., Anderson, Dane, Masunov, Artëm E., Hagan, David J., Stryland, Eric W. Van

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.63 MB

english, 2016

4

Chemical Reaction CO+OH • →CO 2 +H • is Autocatalyzed by Carbon Dioxide: Quantum Chemical Study of the Potential Energy Surfaces

Masunov, Artem E., Wait, Elizabeth Eileen, Vasu, Subith S

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

5

From discrete molecules to one-dimensional coordination polymers containing Mn(II), Zn(II) or Cd(II) pyridine-2-aldoxime building unit

Croitor, Lilia, Coropceanu, Eduard B., Siminel, Anatolii V., Masunov, Artëm E., Fonari, Marina S.

Journal:

Year:

2013

Language:

english

File:

PDF, 2.63 MB

english, 2013

6

Structure and properties of cerium oxides in bulk and nanoparticulate forms

Gangopadhyay, Shruba, Frolov, Dmitry D., Masunov, Artëm E., Seal, Sudipta

Journal:

Journal of Alloys and Compounds

Year:

2014

Language:

english

File:

PDF, 818 KB

english, 2014

7

[ASME ASME Turbo Expo 2016: Turbomachinery Technical Conference and Exposition - Seoul, South Korea (Monday 13 June 2016)] Volume 3: Coal, Biomass and Alternative Fuels; Cycle Innovations; Electric Power; Industrial and Cogeneration; Organic Rankine Cycle Power Systems - Combustion of Aldehydes in the Negative Temperature Coefficient Region: Products and Pathways

Barari, Ghazal, Koroglu, Batikan, Masunov, Artëm E., Vasu, Subith

Year:

2016

Language:

english

File:

PDF, 1.44 MB

english, 2016

8

High accuracy machine learning identification of fentanyl-relevant molecular compound classification via constituent functional group analysis

Xu, Mengyu, Wang, Chun-Hung, Terracciano, Anthony C., Masunov, Artem E., Vasu, Subith S.

Journal:

Scientific Reports

Year:

2020

File:

PDF, 2.70 MB

2020

9

Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles

Talgat M. Inerbaev, Sudipta Seal, Artëm E. Masunov

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 330 KB

english, 2010

10

Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene

Gadzhiev, Oleg B., Ignatov, Stanislav K., Krisyuk, Boris E., Maiorov, Alexey V., Gangopadhyay, Shruba, Masunov, Artëm E.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.06 MB

english, 2012

11

Symmetry breaking in cationic polymethine dyes, part 1: Ground state potential energy surfaces and solvent effects on electronic spectra of streptocyanines

Tzvetelin D. Iordanov, Jesse L. Davis, Artëm E. Masunov, Andrew Levenson, Olga V. Przhonska, Alexei D. Kachkovski

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 441 KB

english, 2009

12

Controlling the aggregation and rate of release in order to improve insulin formulation: molecular dynamics study of full-length insulin amyloid oligomer models

Workalemahu Mikre Berhanu, Artëm E. Masunov

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 833 KB

english, 2012

13

Comparison of TD-DFT Methods for the Calculation of Two-Photon Absorption Spectra of Oligophenylvinylenes

Nayyar, Iffat H., Masunov, Artëm E., Tretiak, Sergei

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 679 KB

english, 2013

14

Aqueous medium induced optical transitions in cerium oxide nanoparticles

Inerbaev, Talgat M., Karakoti, Ajay S., Kuchibhatla, Satyanarayana V. N. T., Kumar, Amit, Masunov, Artëm E., Seal, Sudipta

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 562 KB

english, 2015

15

Catalytic Effect of Carbon Dioxide on Reaction OH + CO → H + CO 2 in Supercritical Environment: Master Equation Study

Masunov, Artëm E., Wait, Elizabeth E., Vasu, Subith S.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 1.24 MB

english, 2018

16

[American Institute of Aeronautics and Astronautics AIAA Scitech 2020 Forum - Orlando, FL ()] AIAA Scitech 2020 Forum - High-temperature DMMP combustion measurements in a shock tube using laser absorption spectroscopy

Rahman, Ramees, Neupane, Sneha, Baker, Jessica, Ninnemann, Erik M., Arafin, Farhan, Masunov, Artem, Vasu, Subith

File:

PDF, 286 KB

17

Molecular Dynamics Study of Combustion Reactions in Supercritical Environment. Part 1: Carbon Dioxide and Water Force Field Parameters Refitting and Critical Isotherms of Binary Mixtures

Masunov, Artem E., Atlanov, Arseniy Alekseyevich, Vasu, Subith S

Journal:

Year:

2016

Language:

english

File:

PDF, 626 KB

english, 2016

18

DMMP pyrolysis and oxidation studies at high temperature inside a shock tube using laser absorption measurements of CO

Neupane, Sneha, Rahman, Ramees K., Baker, Jessica, Arafin, Farhan, Ninnemann, Erik, Thurmond, Kyle, Wang, Chun-Hung, Masunov, Artëm E., Vasu, Subith S.

Journal:

Combustion and Flame

Year:

2020

File:

PDF, 2.08 MB

2020

19

Products and Pathways of Aldehydes Oxidation in the Negative Temperature Coefficient Region

Barari, Ghazal, Koroglu, Batikan, Masunov, Artëm E., Vasu, Subith

Journal:

Journal of Energy Resources Technology

Year:

2016

Language:

english

File:

PDF, 2.31 MB

english, 2016

20

Quantum Chemical Study of CH 3 + O 2 Combustion Reaction System: Catalytic Effects of Additional CO 2 Molecule

Masunov, Artëm E., Wait, Elizabeth, Vasu, Subith S.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 3.14 MB

english, 2017

21

First Principles Crystal Engineering of Nonlinear Optical Materials. II. Effect of Halogen Bonds on Structure and Properties of Triiodobenzenes

Masunov, Artem E., Torres, Kevin, Dyakov, Alexander A., Yushina, Irina D., Bartashevich, Ekaterina V

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.46 MB

english, 2018

22

Density functional theory study of small nickel clusters

Satyender Goel, Artem E. Masunov

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 835 KB

english, 2012

23

Toward First-Principles Design of Organic Nonlinear Optical Materials: Crystal Structure Prediction and Halogen Bonding Impact on Hyperpolarizabilities of 2-Iodo-3-hydroxypyridine

Yushina, Irina D., Masunov, Artëm E., Lopez, Diana, Dyakov, Alexander A., Bartashevich, Ekaterina V.

Journal:

Crystal Growth & Design

Year:

2018

Language:

english

File:

PDF, 3.12 MB

english, 2018

24

Topological properties of electron density in the H−+ H2CO reaction system

Sergei F. Vyboishchikov, Artem E. Masunov

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 417 KB

english, 1994

25

Can molecular dynamics simulations assist in design of specific inhibitors and imaging agents of amyloid aggregation? Structure, stability and free energy predictions for amyloid oligomers of VQIVYK, MVGGVV and LYQLEN

Workalemahu Mikre Berhanu, Artëm E. Masunov

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 2.32 MB

english, 2011

26

Near-field enhancement of infrared intensities forf-ftransitions in Er3+ions close to the surface of silicon nanoparticles

Lesya Borowska, Stephan Fritzsche, Pieter G. Kik, Artëm E. Masunov

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 286 KB

english, 2011

27

Water Deficient Environment Accelerates Proton Exchange: Acetone−Water Reaction Catalyzed by Calix[4]hydroquinone Nanotubes

Zakharov, Maxim, Masunov, Artëm E., Dreuw, Andreas

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.44 MB

english, 2009

28

Predictions of the Spin Configuration in Mn 12 Molecular Magnets Made Accurate with the Help of Hubbard U on the Ligand Atoms

Gangopadhyay, Shruba, Masunov, Artëm E., Kilina, Svetlana

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.77 MB

english, 2014

29

[IEEE 2009 Third International Conference on Quantum, Nano and Micro Technologies (ICQNM) - Cancun, Mexico (2009.02.1-2009.02.7)] 2009 Third International Conference on Quantum, Nano and Micro Technologies - Modeling of Selective Carbon Nanotubes Growth for Non-classical Memory Applications

Goel, Satyender, Masunov, Artëm E.

Year:

2009

Language:

english

File:

PDF, 585 KB

english, 2009

30

Understanding oxygen vacancy migration and clustering in barium strontiumcobalt iron oxide

Shruba Ganopadhyay, Artëm E. Masunov, Talgat Inerbaev, Jaruwan Mesit, Ratan K. Guha, Ahmad K. Sleiti, Jay S. Kapat

Journal:

Solid State Ionics

Year:

2010

Language:

english

File:

PDF, 847 KB

english, 2010

31

Theoretical study of photochromic compounds, part 2: Thermal mechanism for byproduct formation and fatigue resistance of diarylethenes used as data storage materials

Pansy D. Patel, Ivan A. Mikhailov, Kevin D. Belfield, Artëm E. Masunov

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 681 KB

english, 2009

32

Theoretical Study of Urea. I. Monomers and Dimers

Masunov, Artëm, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 133 KB

english, 1999

33

Are Hydrogen Bonds Covalent or Electrostatic? A Molecular Orbital Comparison of Molecules in Electric Fields and H-Bonding Environments

Dannenberg, J. J., Haskamp, Laury, Masunov, Artëm

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

34

Proximity effects on nuclear spin?spin coupling constants. Part 2.?The electric field effect on 1 J(CH) couplings

Giribet, Claudio G., Vizioli, Celia V., de Az�a, Martin C. Ruiz, Contreras, Rub�n H., Dannenberg, Joseph J., Masunov, Artem

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1996

Language:

english

File:

PDF, 790 KB

english, 1996

35

Heisenberg coupling constant predicted for molecular magnets with pairwise spin-contamination correction

Masunov, Artëm E., Gangopadhyay, Shruba

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2015

Language:

english

File:

PDF, 1.47 MB

english, 2015

36

Potentials of Mean Force between Ionizable Amino Acid Side Chains in Water

Masunov, Artëm, Lazaridis, Themis

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 386 KB

english, 2003

37

Adsorption of Glyoxal (CHOCHO) and Its UV Photolysis Products on the Surface of Atmospheric Ice Nanoparticles. DFT and Density Functional Tight-Binding Study

Ignatov, Stanislav K., Gadzhiev, Oleg B., Razuvaev, Alexey G., Masunov, Artëm E., Schrems, Otto

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 8.29 MB

english, 2014

38

Untangling the Excited States of DR1 in Solution: An Experimental and Theoretical Study

De Boni, Leonardo, Toro, Carlos, Masunov, Artëm E., Hernández, Florencio E.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 268 KB

english, 2008

39

Nonlinear Optical Properties of Mixed Oxides Crystals CsNbMoO 6 and CsTaMoO 6 . A Periodic CPHF/KS Study

Varlamova, Liubov A., Ignatov, Stanislav Konstantinovich, Fukina, Diana G., Konakov, Anton A., Masunov, Artem E., Suleimanov, Evgeny V.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 735 KB

english, 2018

40

Insight into how molecular structures of thiophene-based conjugated polymers affect crystallization behaviors

Jianhua Liu, Ivan A. Mikhaylov, Jianhua Zou, Itaru Osaka, Artëm E. Masunov, Richard D. McCullough, Lei Zhai

Journal:

Year:

2011

Language:

english

File:

PDF, 1.11 MB

english, 2011

41

Solitonic waves in polyene dications and principles of charge carrier localization in π-conjugated organic materials

Andrii O. Gerasov, Iffat H. Nayyar, Artëm E. Masunov, Olga V. Przhonska, Olexiy D. Kachkovsky, Dmytro O. Melnyk, Olexiy B. Ryabitsky, Olexander O. Viniychuk

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 1.54 MB

english, 2012

42

Full length amylin oligomer aggregation: insights from molecular dynamics simulations and implications for design of aggregation inhibitors

Berhanu, Workalemahu Mikre, Masunov, Artëm E.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

43

Two-Photon Excitation of Substituted Enediynes

Kauffman, John F., Turner, Joseph M., Alabugin, Igor V., Breiner, Boris, Kovalenko, Serguei V., Badaeva, Ekaterina A., Masunov, Artëm, Tretiak, Sergei

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 317 KB

english, 2006

44

[OSA Conference on Lasers and Electro-Optics - San Jose, CA (2010..-..)] Conference on Lasers and Electro-Optics 2010 - Two-Photon Absorption in Single Crystals of Cyanine-Like Dye

Hu, Honghua, Gerasov, Andriy, Padilha, Lazaro, Przhonska, Olga, Webster, Scott, Shandura, Mykola, Kovtun, Yuriy, Masunov, Artem, Hagan, David, Van Stryland, Eric

Year:

2010

Language:

english

File:

PDF, 292 KB

english, 2010

45

New Two-Photon Absorbing BODIPY-Based Fluorescent Probe: Linear Photophysics, Stimulated Emission, and Ultrafast Spectroscopy

Sui, Binglin, Bondar, Mykhailo V., Anderson, Dane, Rivera-Jacquez, Hector J., Masunov, Artëm E., Belfield, Kevin D.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.51 MB

english, 2016

46

Molecular Dynamics Study of Combustion Reactions in a Supercritical Environment. Part 2: Boxed MD Study of CO + OH → CO 2 + H Reaction Kinetics

Panteleev, Sergey V., Masunov, Artëm E., Vasu, Subith S.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 2.64 MB

english, 2018

47

Theoretical study of chromophores for biological sensing: Understanding the mechanism of rhodol based multi-chromophoric systems

Rivera-Jacquez, Hector J., Masunov, Artëm E.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2018

Language:

english

File:

PDF, 3.87 MB

english, 2018

48

Are density functional theory predictions of the Raman spectra accurate enough to distinguish conformational transitions during amyloid formation?

Workalemahu Mikre Berhanu, Ivan A. Mikhailov, Artëm E. Masunov

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 430 KB

english, 2010

49

Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C2H6 ⇌ CH3 + CH3

Wang, Chun-Hung, Masunov, Artëm E., Panteleev, Sergey Valer'evich, Allison, Tim C., Chung, Sungho, Lim, Chansun, Jin, Yuin, Vasu, Subith S

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 645 KB

english, 2019

50

A theoretical investigation of the CH ··· O interaction between substituted phenylacetylenes and water

Artem Masunov, J.J. Dannenberg

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 226 KB

english, 1996

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