E. S. Masunov : rechercher sur Z-Library

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1

Dopant-mediated oxygen vacancy tuning in ceria nanoparticles

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

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 812 KB

english, 2009

2

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

Masunov, Artëm, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry B

Année:

2000

Langue:

english

Fichier:

PDF, 85 KB

english, 2000

3

[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

Année:

2016

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2016

4

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

Année:

2010

Langue:

english

Fichier:

PDF, 330 KB

english, 2010

5

Thermally controlled preferential molecular aggregation state in a thiacarbocyanine dye

Passier, Rémy, Ritchie, James P., Toro, Carlos, Diaz, Carlos, Masunov, Artëm E., Belfield, Kevin D., Hernandez, Florencio E.

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.37 MB

english, 2010

6

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

Année:

2012

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2012

7

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:

Année:

2013

Langue:

english

Fichier:

PDF, 2.63 MB

english, 2013

8

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

Année:

2014

Langue:

english

Fichier:

PDF, 818 KB

english, 2014

9

Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability

Suponitsky, Kyrill Yu., Tafur, Sergio, Masunov, Artëm E.

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 498 KB

english, 2008

10

Permanent dipole moments and energies of excited states from density functional theory compared with coupled cluster predictions: Case of para-nitroaniline

Mikhailov, Ivan A., Musiał, Monika, Masunov, Artëm E.

Journal:

Computational and Theoretical Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 2.54 MB

english, 2013

11

ACD/I-Lab 4.5: An Internet Service Review

Journal:

Journal of Chemical Information and Modeling

Année:

2001

Langue:

english

Fichier:

PDF, 28 KB

english, 2001

12

Introduction to Perturbation Theory in Quantum Mechanics By Francisco M. Fernandez (University of La Plata, Argentina). CRC Press LLC: Boca Raton, FL. 2001. xii + 272 pp. $99.95. ISBN 0-8493-1877-7.

Masunov, Artëm

Journal:

Journal of the American Chemical Society

Année:

2001

Langue:

english

Fichier:

PDF, 16 KB

english, 2001

13

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

Année:

2016

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2016

14

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

Année:

2020

Fichier:

PDF, 2.70 MB

2020

15

Molecular dynamic simulation of wild type and mutants of the polymorphic amyloid NNQNTF segments of elk prion: Structural stability and thermodynamic of association

Workalemahu M. Berhanu, Artëm E. Masunov

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 5.01 MB

english, 2011

16

Distance and exposure dependent effective dielectric function

Buddhadeb Mallik, Artem Masunov, Themis Lazaridis

Journal:

Journal of Computational Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 317 KB

english, 2002

17

Rearrangement processes of negative ions in the gas phase: [M Hal]− ions in halogenated azobenzenes. Resonance stabilization of negative ions

M. V. Muftakhov, Yu. V. Vasil'ev, V. A. Masunov, V. V. Takhistov, D. A. Ponomarev

Journal:

Journal of Mass Spectrometry

Année:

1995

Langue:

english

Fichier:

PDF, 666 KB

english, 1995

18

Phosphate ester hydrolysis of biologically relevant molecules by cerium oxide nanoparticles

Melissa Hirsch Kuchma, Christopher B. Komanski, Jimmie Colon, Andrew Teblum, Artëm E. Masunov, Beatrice Alvarado, Suresh Babu, Sudipta Seal, Justin Summy, Cheryl H. Baker

Journal:

Nanomedicine: Nanotechnology, Biology and Medicine

Année:

2010

Langue:

english

Fichier:

PDF, 572 KB

english, 2010

19

BEAMDULAC code for numerical simulation of 3D beam dynamics in a high-intensity undulator linac

E.S. Masunov, S.M. Polozov

Journal:

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Année:

2006

Langue:

english

Fichier:

PDF, 290 KB

english, 2006

20

Erratum to: “Normal wake and reversed resonant radiation of a charge moving along a slow-wave system”: [Nucl. Instr. and Meth. A 508 (2003) 245–256]

E.S. Masunov, A.V. Smirnov

Journal:

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Année:

2006

Langue:

english

Fichier:

PDF, 81 KB

english, 2006

21

Natural polyphenols as inhibitors of amyloid aggregation. Molecular dynamics study of GNNQQNY heptapeptide decamer

Workalemahu M. Berhanu, Artëm E. Masunov

Journal:

Biophysical Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 7.21 MB

english, 2010

22

Calculations of the third-order nonlinear optical responses in push–pull chromophores with a time-dependent density functional theory

Nadya Kobko, Artëm Masunov, Sergei Tretiak

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 334 KB

english, 2004

23

Conformational dependence of the first molecular hyperpolarizability in the computational design of nonlinear optical materials for optical switching

Kyrill Yu. Suponitsky, Artem E. Masunov, Mikhail Yu. Antipin

Journal:

Mendeleev Communications

Année:

2008

Langue:

english

Fichier:

PDF, 274 KB

english, 2008

24

Computational search for nonlinear optical materials: are polarization functions important in the hyperpolarizability predictions of molecules and aggregates?

Kyrill Yu. Suponitsky, Artem E. Masunov, Mikhail Yu. Antipin

Journal:

Mendeleev Communications

Année:

2009

Langue:

english

Fichier:

PDF, 284 KB

english, 2009

25

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:

Année:

2011

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2011

26

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

Année:

2010

Langue:

english

Fichier:

PDF, 847 KB

english, 2010

27

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

Sergei F. Vyboishchikov, Artem E. Masunov

Journal:

Journal of Molecular Structure

Année:

1994

Langue:

english

Fichier:

PDF, 417 KB

english, 1994

28

Undulator linear accelerator as a generator of ribbon high power ion beams

E.S. Masunov, S.M. Polozov, A.S. Roshal

Journal:

Radiation Physics and Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 147 KB

english, 2001

29

Contributions to the binding free energy of ligands to avidin and streptavidin

Themis Lazaridis, Artëm Masunov, Francois Gandolfo

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2002

Langue:

english

Fichier:

PDF, 258 KB

english, 2002

30

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

Année:

2009

Langue:

english

Fichier:

PDF, 681 KB

english, 2009

31

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

Année:

2009

Langue:

english

Fichier:

PDF, 441 KB

english, 2009

32

Theoretical spectroscopy of carbocyanine dyes made accurate by frozen density correction to excitation energies obtained by TD-DFT

Artëm E. Masunov

Journal:

International Journal of Quantum Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 203 KB

english, 2010

33

Dissociation curves and binding energies of diatomic transition metal carbides from density functional theory

Satyender Goel, Artëm E. Masunov

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 1.54 MB

english, 2011

34

Donor-acceptor nature of specific nonbonded interactions of sulfur and halogen atoms. Influence on the geometry and packing of molecules

A. É. Masunov, P. M. Zorkii

Journal:

Journal of Structural Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1.10 MB

english, 1992

35

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

Année:

2010

Langue:

english

Fichier:

PDF, 430 KB

english, 2010

36

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

Année:

2011

Langue:

english

Fichier:

PDF, 286 KB

english, 2011

37

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

Année:

2011

Langue:

english

Fichier:

PDF, 2.32 MB

english, 2011

38

Unique example of amyloid aggregates stabilized by main chain H-bond instead of the steric zipper: molecular dynamics study of the amyloidogenic segment of amylin wild-type and mutants

Workalemahu Mikre Berhanu, Artëm E. Masunov

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 1.08 MB

english, 2012

39

Density functional theory study of small nickel clusters

Satyender Goel, Artem E. Masunov

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 835 KB

english, 2012

40

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

Année:

2012

Langue:

english

Fichier:

PDF, 833 KB

english, 2012

41

Investigation of beam dynamics in a linear superconducting heavy-ion accelerator

E. S. Masunov, A. V. Samoshin

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 333 KB

english, 2010

42

Calculation of beam dynamics in traveling-wave accelerators taking account of the current load

A. V. Voronkov, E. S. Masunov, S. M. Polozov, V. I. Rashchikov

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 201 KB

english, 2010

43

Normal wake and reversed resonant radiation of a charge moving along a slow-wave system

E.S. Masunov, A.V. Smirnov

Journal:

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Année:

2003

Langue:

english

Fichier:

PDF, 271 KB

english, 2003

44

RF focusing of ion beams in the axisymmetric periodic structure of a linac

É. S. Masunov, N. E. Vinogradov

Journal:

Technical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 171 KB

english, 2001

45

A high-frequency undulator for ion beam focusing and acceleration

Journal:

Technical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 58 KB

english, 2001

46

Dynamics of the two-component ion beam in a linear undulator accelerator

E. S. Masunov, S. M. Polozov

Journal:

Technical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 305 KB

english, 2009

47

Beam focusing in a linear ion accelerator consisting of a periodic sequence of independently phased superconducting cavities

E. S. Masunov, A. V. Samoshin

Journal:

Technical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 283 KB

english, 2010

48

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

Masunov, Artëm, Lazaridis, Themis

Journal:

Journal of the American Chemical Society

Année:

2003

Langue:

english

Fichier:

PDF, 386 KB

english, 2003

49

Fluorene-Based Metal-Ion Sensing Probe with High Sensitivity to Zn2+ and Efficient Two-Photon Absorption

Belfield, Kevin D., Bondar, Mykhailo V., Frazer, Andrew, Morales, Alma R., Kachkovsky, Oleksiy D., Mikhailov, Ivan A., Masunov, Artëm E., Przhonska, Olga V.

Journal:

Journal of Physical Chemistry B

Année:

2010

Langue:

english

Fichier:

PDF, 424 KB

english, 2010

50

Theoretical Study of Urea. I. Monomers and Dimers

Masunov, Artëm, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 133 KB

english, 1999