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Масунов Артем Эдуардович
пользователь
доктор химических наук с 2010 года
профессор по специальности № NanoScience and Chemistry с 5 мая 2005 г.
Соавторы:
Belfield K.D.
,
Gangopadhyay S.
,
Przhonska O.V.
,
Berhanu W.M.
,
Inerbaev T.M.
,
Zorky P.M.
,
Seal S.
,
Dannenberg J.J.
,
Tretiak S.
,
Goel S.
,
Hernandez F.E.
,
Супоницкий К.Ю.
,
Antipin M.Y.
показать полностью...
,
Babu S.
,
Bondar M.V.
,
Fonari M.S.
,
Gerasov A.O.
,
Kachkovski A.D.
,
Timofeeva T.A.
,
Toro C.
,
Coropceanu E.B.
,
De Boni L.
,
Gadzhiev O.B.
,
Gladkikh O.P.
,
Hagan D.J.
,
Honghua H.
,
Lazaridis T.
,
Nayyar I.H.
,
Patel P.D.
,
Peceli D.
,
Rivera-Jacquez H.J.
,
Siminel A.V.
,
Van Stryland E.W.
,
Webster S.
,
Yao S.
,
Качковский О.Д.
,
Сломинский Ю.Л.
,
Badaeva E.A.
,
Borodina O.S.
,
Contreras R.H.
,
Croitor L.
,
Dreuw A.
,
Fishman D.A.
,
Karakoti A.S.
,
Kurdyukov V.V.
,
Leuenberger M.N.
,
Morales A.R.
,
Ovchinnikova I.G.
,
Padilha L.A.
,
Poalelungi E.
,
Ritchie J.P.
,
Self W.T.
,
Tafur S.
,
Titova Y.A.
,
Tolmachev A.I.
,
Vincent A.
,
Viniychuk O.O.
,
Vyboishchikov S.F.
,
Андерсен Д.
,
Иванов С.В.
,
Макаров Г.И.
,
Фрейдзон А.Я.
,
Alabugin I.V.
,
Altilio D.
,
Alvarado B.
,
Baker C.H.
,
Barrasso E.
,
Bartashevich E.V.
,
Bartashevich E.V.
,
Bashmakova N.V.
,
Bazan G.C.
,
Belsky V.K.
,
Borowska L.
,
Breiner B.
,
Bricks J.L.
,
Colon J.
,
Crotty A.M.
,
Datsko T.Y.
,
Davis J.L.
,
Day R.
,
Diaz C.
,
Dobrinescu A.
,
Dowding R.
,
Draguta S.
,
Dzyabchenko A.V.
,
Eltsov O.S.
,
Fedorova O.
,
Fedorova O.V.
,
Frazer A.
,
Fritzsche S.
,
Gallegos J.H.
,
Gandolfo F.
,
Geldmeier J.A.
,
Gesquiere A.J.
,
Giribet C.G.
,
Gizzi A.N.
,
Grishchenko S.I.
,
Guha R.K.
,
Haskamp L.
,
Heckert E.
,
Hirst S.M.
,
Hong J.W.
,
Iordanov T.D.
,
Kapat J.S.
,
Kauffman J.F.
,
Kawazoe Y.
,
Khondaker S.I.
,
Kik P.G.
,
Kilina S.
,
Kobko N.
,
Komanski C.B.
,
Kovalenko S.V.
,
Kovtun Y.P.
,
Kravtsov V.C.
,
Kuchibhatla Satyanarayana V.N.
,
Kuchma M.H.
,
Kumar A.
,
Lepkowicz R.
,
Levchenko S.M.
,
Levenson E.A.
,
Liao L.
,
Liu B.
,
Liu J.
,
Luchita G.
,
Maiorov A.V.
,
Mallik B.
,
Matveeva A.D.
,
McCullough R.D.
,
Melnic E.
,
Melnyk D.O.
,
Mesit J.
,
Odinokov A.V.
,
Orlovskaya N.
,
Osaka I.
,
PORAI-KOSHITS M.A.
,
Panfilov T.V.
,
Passier R.
,
Piryatinski Y.P.
,
Plamada A.
,
RAZUVAEV G.
,
Rahman T.S.
,
Reilly J.J.
,
Ryabitsky O.B.
,
Schulte A.
,
Shandura M.
,
Shaydyuk Y.O.
,
Sleiti A.K.
,
Stringfellow T.C.
,
Sullivan S.
,
Summy J.
,
Tannu A.
,
Teblum A.
,
Thanneeru R.
,
Thibert A.
,
Tongwa P.
,
Toulokhonova I.S.
,
Turner J.M.
,
Vizioli C.V.
,
West R.
,
Yanez C.O.
,
Yang P.
,
Zakharov M.
,
Zazueta J.
,
Zelentsov V.I.
,
Zhai L.
,
Zhongjian H.
,
Zou J.
,
bagatur’yants A.
,
deAzua M.C.
,
Багатурьянц А.А.
,
Дьяков А.А.
,
Иванов С.А.
,
Крисюк Б.Э.
,
Куликова О.В.
,
Леонидов Н.Б.
,
Стрельцов В.А.
,
Фролов Д.D.
,
Цирельсон В.Г.
98 статей
Количество цитирований статей в журналах по данным Web of Science: 3480, Scopus: 3135
IstinaResearcherID (IRID): 4451349
ResearcherID:
A-1745-2011
Деятельность
Статьи в журналах
2021
Pseudocyclic Form of 4-Hydroxypyrrolidine-2-carboxanilide Podands with Trioxyethylene Chain: Modeling, Conformational Search, and NMR Analysis
Borodina Olga
,
Ovchinnikova Irina
,
Makarov Gennady
,
Yeltsov Oleg
,
Titova Yulia
,
Fedorova Olga
,
Masunov Artëm E.
,
Bartashevich Ekaterina
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 125, № 28, с. 6029-6041
DOI
2017
First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea
Masunov Artëm E.
,
Tannu Arman
,
Dyakov Alexander A.
,
Matveeva Anastasia D.
,
Freidzon Alexandra Ya
,
Odinokov Alexey V.
,
Bagaturyants Alexander A.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 146, № 24, с. 244104
DOI
2015
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
в журнале
Physical Chemistry Chemical Physics
, издательство
Royal Society of Chemistry
(United Kingdom)
, том 17, № 9, с. 6217-6221
DOI
2015
Heisenberg coupling constant predicted for molecular magnets with pairwise spin-contamination correction
Masunov
,
Gangopadhyay
в журнале
Journal of Magnetism and Magnetic Materials
, издательство
Elsevier BV
(Netherlands)
, том 396, с. 222-227
DOI
2015
Symmetry-Breaking in Cationic Polymethine Dyes: Part 2. Shape of Electronic Absorption Bands Explained by the Thermal Fluctuations of the Solvent Reaction Field
Masunov Artëm E.
,
Anderson Dane
,
Freidzon Alexandra Ya
,
Bagaturyants Alexander A.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 119, № 26, с. 6807-6815
DOI
2014
Atomistic mechanism of polyphenol amyloid aggregation inhibitors: molecular dynamics study of Curcumin, Exifone, and Myricetin interaction with the segment of tau peptide oligomer
Berhanu Workalemahu M.
,
Masunov Artëm E.
в журнале
Journal of Biomolecular Structure and Dynamics
, издательство
Adenine Press
(United States)
, том 33, № 7, с. 1399-1411
DOI
2014
Design and Electronic Structure of New Styryl Dye Bases: Steady-State and Time-Resolved Spectroscopic Studies
Bashmakova N.V.
,
Shaydyuk Ye O.
,
Levchenko S.M.
,
Masunov A.E.
,
Przhonska O.V.
,
Bricks J.L.
,
Kachkovsky O.D.
,
Slominsky Yu L.
,
Piryatinski Yu P.
,
Belfield K.D.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 118, № 25, с. 4502-4509
DOI
2014
Molecular Packing in Organic Solar Cell Materials: Insights from the Emission Line Shapes of P3HT/PCBM Polymer Blend Nanoparticles
Crotty Angela M.
,
Gizzi Alicia N.
,
Rivera-Jacquez Hector J.
,
Masunov Artëm E.
,
Zhongjian Hu
,
Geldmeier Jeff A.
,
Gesquiere Andre J.
в журнале
Journal of Physical Chemistry C
, издательство
American Chemical Society
(United States)
, том 118, № 34, с. 19975-19984
DOI
2014
Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity
Croitor Lilia
,
Coropceanu Eduard B.
,
Masunov Artëm E.
,
Rivera-Jacquez Hector J.
,
Siminel Anatolii V.
,
Zelentsov Vyacheslav I.
,
Datsko Tatiana Ya
,
Fonari Marina S.
в журнале
Crystal Growth and Design
, издательство
American Chemical Society
(United States)
, том 14, № 8, с. 3935-3948
DOI
2014
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
в журнале
Journal of Physical Chemistry C
, издательство
American Chemical Society
(United States)
, том 118, № 35, с. 20605-20612
DOI
2014
Robust Packing Patterns and Luminescence Quenching in Mononuclear [Cu(II)( phen ) 2 ] Sulfates
Melnic Elena
,
Coropceanu Eduard B.
,
Kulikova Olga V.
,
Siminel Anatolii V.
,
Anderson Dane
,
Rivera-Jacquez Hector J.
,
Masunov Artëm E.
,
Fonari Marina S.
,
Kravtsov Victor Ch
в журнале
Journal of Physical Chemistry C
, издательство
American Chemical Society
(United States)
, том 118, № 51, с. 30087-30100
DOI
2014
Structure and properties of cerium oxides in bulk and nanoparticulate forms
Gangopadhyay Shruba
,
Frolov Dmitry D.
,
Masunov Artem E.
,
Seal Sudipta
в журнале
Journal of Alloys and Compounds
, издательство
Elsevier BV
(Netherlands)
, том 584, с. 199-208
DOI
2014
Two-Photon Absorption Spectra Predicted by Semiempirical Methods
Nayyar Iffat H.
,
Masunov Artëm E.
в журнале
Jnl of Comp & Theo Nano
, том 11, № 10, с. 2208-2220
DOI
2013
Enhanced Intersystem Crossing Rate in Polymethine-Like Molecules: Sulfur-Containing Squaraines versus Oxygen-Containing Analogues
Peceli Davorin
,
Honghua Hu
,
Fishman Dmitry A.
,
Webster Scott
,
Przhonska Olga V.
,
Kurdyukov Vladimir V.
,
Slominsky Yurii L.
,
Tolmachev Alexey I.
,
Kachkovski Alexey D.
,
Gerasov Andrey O.
,
Masunov Artem E.
,
Hagan David J.
,
Van Stryland Eric W.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 117, № 11, с. 2333-2346
2013
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 Artem E.
,
Fonari Marina S.
в журнале
Polyhedron
, издательство
Pergamon Press
(United States)
, том 60, с. 140-150
2013
New acentric materials constructed from aminopyridines and 4-nitrophenol
Draguta Sergiu
,
Fonari Marina S.
,
Masunov Artem E.
,
Zazueta Joel
,
Sullivan Shannon
,
Antipin Mikhail Yu
,
Timofeeva Tatiana V.
в журнале
CrystEngComm
, издательство
Royal Society of Chemistry
(United Kingdom)
, том 15, № 23, с. 4700-4710
2013
Supramolecular step in design of nonlinear optical materials: Effect of pi ... pi stacking aggregation on hyperpolarizability
Suponitsky Kyrill Yu
,
Masunov Artem E.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 139, № 9, с. 094310
DOI
2012
Alternative packing modes leading to amyloid polymorphism in five fragments studied with molecular dynamics
Berhanu Workalemahu M.
,
Masunov Artem E.
в журнале
Biopolymers
, издательство
John Wiley & Sons Inc.
(United States)
, том 98, № 2, с. 131-144
2012
Controlling the aggregation and rate of release in order to improve insulin formulation: molecular dynamics study of full-length insulin amyloid oligomer models
Berhanu Workalemahu Mikre
,
Masunov Artem E.
в журнале
Journal of Molecular Modeling
, издательство
Springer Verlag
(Germany)
, том 18, № 3, с. 1129-1142
2012
Density functional theory study of small nickel clusters
Goel Satyender
,
Masunov Artem E.
в журнале
Journal of Molecular Modeling
, издательство
Springer Verlag
(Germany)
, том 18, № 2, с. 783-790
2012
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 Artem E.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 116, № 42, с. 10420-10434
2012
Solitonic waves in polyene dications and principles of charge carrier localization in pi-conjugated organic materials
Gerasov Andrii O.
,
Nayyar Iffat H.
,
Masunov Artem E.
,
Przhonska Olga V.
,
Kachkovsky Olexiy D.
,
Melnyk Dmytro O.
,
Ryabitsky Olexiy B.
,
Viniychuk Olexander O.
в журнале
International Journal of Quantum Chemistry
, издательство
John Wiley & Sons Inc.
(United States)
, том 112, № 14, с. 2659-2667
2012
Two-Photon Absorption Spectrum of a Single Crystal Cyanine-like Dye
Honghua Hu
,
Fishman Dmitry A.
,
Gerasov Andrey O.
,
Przhonska Olga V.
,
Webster Scott
,
Padilha Lazaro A.
,
Peceli Davorin
,
Shandura Mykola
,
Kovtun Yuriy P.
,
Kachkovski Alexey D.
,
Nayyar Iffat H.
,
Masunov Artem E.
,
Tongwa Paul
,
Timofeeva Tatiana V.
,
Hagan David J.
,
Van Stryland Eric W.
в журнале
Journal of Physical Chemistry Letters
, издательство
American Chemical Society
(United States)
, том 3, № 9, с. 1222-1228
2012
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
Berhanu Workalemahu Mikre
,
Masunov Artem E.
в журнале
Journal of Molecular Modeling
, издательство
Springer Verlag
(Germany)
, том 18, № 3, с. 891-903
2011
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
Berhanu Workalemahu Mikre
,
Masunov Artem E.
в журнале
Journal of Molecular Modeling
, издательство
Springer Verlag
(Germany)
, том 17, № 10, с. 2423-2442
2011
Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters
Yakovenko Andrey A.,
Gallegos Jose H.
,
Antipin Mikhail Yu
,
Masunov Artem
,
Timofeeva Tatiana V.
в журнале
Crystal Growth and Design
, издательство
American Chemical Society
(United States)
, том 11, № 9, с. 3964-3978
2011
Dissociation Curves and Binding Energies of Diatomic Transition Metal Carbides from Density Functional Theory
Goel Satyender
,
Masunov Artem E.
в журнале
International Journal of Quantum Chemistry
, издательство
John Wiley & Sons Inc.
(United States)
, том 111, № 15, с. 4276-4287
2011
Efficient Photochromic Transformation of a New Fluorenyl Diarylethene: One- and Two-Photon Absorption Spectroscopy
Luchita Gheorghe
,
Bondar Mykhailo V.
,
Yao Sheng
, Mikhailov Ivan A.,
Yanez Ciceron O.
,
Przhonska Olga V.
,
Masunov Artem E.
,
Belfield Kevin D.
в журнале
ACS applied materials & interfaces
, издательство
American Chemical Society
(United States)
, том 3, № 9, с. 3559-3567
2011
Insight into how molecular structures of thiophene-based conjugated polymers affect crystallization behaviors
Liu Jianhua
, Mikhaylov Ivan A.,
Zou Jianhua
,
Osaka Itaru
,
Masunov Artem E.
,
McCullough Richard D.
,
Zhai Lei
в журнале
Polymer
, издательство
Elsevier BV
(Netherlands)
, том 52, № 10, с. 2302-2309
2011
Mechanism of Nitric Oxide Oxidation Reaction (2NO+O-2 -> 2NO(2)) Revisited
Gadzhiev Oleg B.
, Ignatov Stanislav K.,
Gangopadhyay Shruba
,
Masunov Astem E.
, Petrov Alexander I.
в журнале
Journal of Chemical Theory and Computation
, издательство
American Chemical Society
(United States)
, том 7, № 7, с. 2021-2024
2011
Molecular Dynamic Simulation of Wild Type and Mutants of the Polymorphic Amyloid NNQNTF Segments of Elk Prion: Structural Stability and Thermodynamic of Association
Berhanu Workalemahu M.
,
Masunov Artem E.
в журнале
Biopolymers
, издательство
John Wiley & Sons Inc.
(United States)
, том 95, № 9, с. 573-590
2011
Near-field enhancement of infrared intensities for f-f transitions in Er3+ ions close to the surface of silicon nanoparticles
Borowska Lesya
,
Fritzsche Stephan
,
Kik Pieter G.
,
Masunov Artem E.
в журнале
Journal of Molecular Modeling
, издательство
Springer Verlag
(Germany)
, том 17, № 3, с. 423-428
2011
Theoretical Study of Photochromic Compounds: Part 3. Prediction of Thermal Stability
Patel Pansy D.
,
Masunov Artem E.
в журнале
Journal of Physical Chemistry C
, издательство
American Chemical Society
(United States)
, том 115, № 20, с. 10292-10297
2010
Are density functional theory predictions of the Raman spectra accurate enough to distinguish conformational transitions during amyloid formation?
Berhanu Workalemahu Mikre
, Mikhailov Ivan A.,
Masunov Artem E.
в журнале
Journal of Molecular Modeling
, издательство
Springer Verlag
(Germany)
, том 16, № 6, с. 1093-1101
2010
Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles
Inerbaev Talgat M.
,
Seal Sudipta
,
Masunov Artem E.
в журнале
Journal of Molecular Modeling
, издательство
Springer Verlag
(Germany)
, том 16, № 10, с. 1617-1623
2010
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 Artem E.
,
Przhonska Olga V.
в журнале
Journal of Physical Chemistry B
, издательство
American Chemical Society
(United States)
, том 114, № 28, с. 9313-9321
2010
Natural polyphenols as inhibitors of amyloid aggregation. Molecular dynamics study of GNNQQNY heptapeptide decamer
Berhanu Workalemahu M.
,
Masunov Artem E.
в журнале
Biophysical Chemistry
, издательство
Elsevier BV
(Netherlands)
, том 149, № 1-2, с. 12-21
2010
Near-Unity Quantum Yields for Intersystem Crossing and Singlet Oxygen Generation in Polymethine-like Molecules: Design and Experimental Realization
Webster Scott
,
Peceli Davorin
,
Honghua Hu
,
Padilha Lazaro A.
,
Przhonska Olga V.
,
Masunov Artem E.
,
Gerasov Andriy O.
,
Kachkovski Alexey D.
,
Slominsky Yurii L.
,
Tolmachev Alexey I.
,
Kurdyukov Vladimir V.
,
Viniychuk Olexander O.
,
Barrasso Emma
,
Lepkowicz Richard
,
Hagan David J.
,
Van Stryland Eric W.
в журнале
Journal of Physical Chemistry Letters
, издательство
American Chemical Society
(United States)
, том 1, № 15, с. 2354-2360
2010
Phosphate ester hydrolysis of biologically relevant molecules by cerium oxide nanoparticles
Kuchma Melissa Hirsch
,
Komanski Christopher B.
,
Colon Jimmie
,
Teblum Andrew
,
Masunov Artem E.
,
Alvarado Beatrice
,
Babu Suresh
,
Seal Sudipta
,
Summy Justin
,
Baker Cheryl H.
в журнале
Nanomedicine: Nanotechnology, Biology, and Medicine
, издательство
Elsevier BV
(Netherlands)
, том 6, № 6, с. 738-744
2010
Theoretical Spectroscopy of Carbocyanine Dyes Made Accurate by Frozen Density Correction to Excitation Energies Obtained by TD-DFT
Masunov Artem E.
в журнале
International Journal of Quantum Chemistry
, издательство
John Wiley & Sons Inc.
(United States)
, том 110, № 15, с. 3095-3100
2010
Thermally controlled preferential molecular aggregation state in a thiacarbocyanine dye
Passier Remy
,
Ritchie James P.
,
Toro Carlos
,
Diaz Carlos
,
Masunov Artem E.
,
Belfield Kevin D.
,
Hernandez Florencio E.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 133, № 13
2010
Tuning Hydrated Nanoceria Surfaces: Experimental/Theoretical Investigations of Ion Exchange and Implications in Organic and Inorganic Interactions
Vincent Abhilash
,
Inerbaev Talgat M.
,
Babu Suresh
,
Karakoti Ajay S.
,
Self William T.
,
Masunov Artem E.
,
Seal Sudipta
в журнале
Langmuir
, издательство
American Chemical Society
(United States)
, том 26, № 10, с. 7188-7198
2010
Understanding oxygen vacancy migration and clustering in barium strontium cobalt iron oxide
Ganopadhyay Shruba
,
Masunov Artem E.
,
Inerbaev Talgat
,
Mesit Jaruwan
,
Guha Ratan K.
,
Sleiti Ahmad K.
,
Kapat Jay S.
в журнале
Solid State Ionics
, издательство
Elsevier BV
(Netherlands)
, том 181, № 23-24, с. 1067-1073
2010
Weak antiferromagnetic coupling in molecular ring is predicted correctly by density functional theory plus Hubbard U
Gangopadhyay Shruba
,
Masunov Artem E.
,
Poalelungi Eliza
,
Leuenberger Michael N.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 132, № 24
2009
Computational search for nonlinear optical materials: are polarization functions important in the hyperpolarizability predictions of molecules and aggregates?
Suponitsky Kyrill Yu
,
Masunov Artem E.
,
Antipin Mikhail Yu
в журнале
Mendeleev Communications
, издательство
Elsevier BV
(Netherlands)
, том 19, № 6, с. 311-313
2009
DFT-Based Methods in the Design of Two-Photon Operated Molecular Switches
Mikhailov Ivan A.,
Belfield Kevin D.
,
Masunov Artem E.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 113, № 25, с. 7080-7089
2009
Dopant-mediated oxygen vacancy tuning in ceria nanoparticles
Babu Suresh
,
Thanneeru Ranjith
,
Inerbaev Talgat
,
Day Richard
,
Masunov Arteam E.
,
Schulte Alfons
,
Seal Sudipta
в журнале
Nanotechnology
, издательство
IOP Publishing
([Bristol, UK], England)
, том 20, № 8
2009
Electronic Hyperpolarizabilities for Donor-Acceptor Molecules with Long Conjugated Bridges: Calculations versus Experiment
Suponitsky Kyrill Yu
,
Liao Yi
,
Masunov Artem E.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 113, № 41, с. 10994-11001
2009
Electronic Properties of a New Two-Photon Absorbing Fluorene Derivative: The Role of Hartree-Fock Exchange in the Density Functional Theory Design of Improved Nonlinear Chromophores
Mikhailov Ivan A.,
Bondar Mykhailo V.
,
Belfield Kevin D.
,
Masunov Artem E.
в журнале
Journal of Physical Chemistry C
, издательство
American Chemical Society
(United States)
, том 113, № 48, с. 20719-20724
2009
Linear and nonlinear optical characterizations of a monomeric symmetric squaraine-based dye in solution
Toro Carlo
,
De Boni Leonardo
,
Yao Sheng
,
Ritchie James P.
,
Masunov Artem E.
,
Belfield Kevin D.
,
Hernandez Florencio E.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 130, № 21
2009
Pairwise Spin-Contamination Correction Method and DFT Study of MnH and H2 Dissociation Curves
Goel S.
,
Masunov A.E.
в журнале
Lecture Notes in Computer Science
, том 5545, с. 141-150
2009
Prediction of exchange coupling constant for Mn12 molecular magnet using DFT+U
Gangopadhyay
, S,
Masunov
, * A.E.,
Poalelungi
, E,
Leuenberger
, * M.N.
в журнале
Lecture Notes in Computer Science
, том 5545, с. 151-159
2009
Protonated Nanoplarticle Surface Governing Ligand Tethering and Cellular Targeting
Vincent Abhilash
,
Babu Suresh
,
Heckert Eric
,
Dowding Janet
,
Hirst Suzanne M.
,
Inerbaev Talgat M.
,
Self William T.
,
Reilly Christopher M.
,
Masunov Artem E.
,
Rahman Talat S.
,
Seal Sudipta
в журнале
ACS Nano
, издательство
American Chemical Society
(United States)
, том 3, № 5, с. 1203-1211
2009
Quantum Chemical Study of Trimolecular Reaction Mechanism between Nitric Oxide and Oxygen in the Gas Phase
Gadzhiev Oleg B.
, Ignatov Stanislav K.,
Razuvaev Alexei G.
,
Masunov Artem E.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 113, № 32, с. 9092-9101
2009
Quantum chemistry of quantum dots: Effects of ligands and oxidation
Inerbaev Talgat M.
,
Masunov Artem E.
,
Khondaker Saiful I.
,
Dobrinescu Alexandra
,
Plamada Andrei-Valentin
,
Kawazoe Yoshiyuki
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 131, № 4
2009
Structural Characterization Combined with the First Principles Simulations of Barium/Strontium Cobaltite/Ferrite as Promising Material for Solid Oxide Fuel Cells Cathodes and High-Temperature Oxygen Permeation Membranes
Gangopadhayay Shruba
,
Inerbaev Talgat
,
Masunov Artem E.
,
Altilio Deanna
,
Orlovskaya Nina
в журнале
ACS applied materials & interfaces
, издательство
American Chemical Society
(United States)
, том 1, № 7, с. 1512-1519
2009
Symmetry Breaking in Cationic Polymethine Dyes, Part 1: Ground State Potential Energy Surfaces and Solvent Effects on Electronic Spectra of Streptocyanines
Iordanov Tzvetelin D.
,
Davis Jesse L.
,
Masunov Artem E.
,
Levenson Andrew
,
Przhonska Olga V.
,
Kachkovski Alexei D.
в журнале
International Journal of Quantum Chemistry
, издательство
John Wiley & Sons Inc.
(United States)
, том 109, № 15, с. 3592-3601
2009
Theoretical Study of Photochromic Compounds, Part 2: Thermal Mechanism for Byproduct Formation and Fatigue Resistance of Diarylethenes Used as Data Storage Materials
Patel Pansy D.
, Mikhailov Ivan A.,
Belfield Kevin D.
,
Masunov Artem E.
в журнале
International Journal of Quantum Chemistry
, издательство
John Wiley & Sons Inc.
(United States)
, том 109, № 15, с. 3711-3722
2009
Theoretical Study of Photochromic Compounds. 1. Bond Length Alternation and Absorption Spectra for the Open and Closed Forms of 29 Diarylethene Derivatives
Patel Pansy D.
,
Masunov Artem E.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 113, № 29, с. 8409-8414
2009
Two-Photon Absorption Properties of New Fluorene-Based Singlet Oxygen Photosensitizers
Belfield Kevin D.
,
Bondar Mykhailo V.
,
Hernandez Florencio E.
,
Masunov Artem E.
, Mikhailov Ivan A.,
Morales Alma R.
,
Przhonska Olga V.
,
Yao Sheng
в журнале
Journal of Physical Chemistry C
, издательство
American Chemical Society
(United States)
, том 113, № 11, с. 4706-4711
2009
Water Deficient Environment Accelerates Proton Exchange: Acetone-Water Reaction Catalyzed by Calix[4]hydroquinone Nanotubes
Zakharov Maxim
,
Masunov Artem E.
,
Dreuw Andreas
в журнале
Journal of Physical Chemistry C
, издательство
American Chemical Society
(United States)
, том 113, № 24, с. 10395-10401
2008
Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability
Suponitsky Kyrill Yu
,
Tafur Sergio
,
Masunov Artem E.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 129, № 4, с. 044109
2008
Catalytic Role of Calix[4]hydroquinone in Acetone-Water Proton Exchange: A Quantum Chemical Study of Proton Transfer via Keto-Enol Tautomerism
Zakharov A.,
Masunov A.E.
,
Dreuw A.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 112, № 41, с. 10405-10412
2008
Conformational dependence of the first molecular hyperpolarizability in the computational design of nonlinear optical materials for optical switching
Suponitsky Kyrill Yu
,
Masunov Artem E.
,
Antipin Mikhail Yu
в журнале
Mendeleev Communications
, издательство
Elsevier BV
(Netherlands)
, том 18, № 5, с. 265-267
2008
Double excitations and state-to-state transition dipoles in pi-pi* excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods
Mikhailov Ivan A.,
Tafur Sergio
,
Masunov Artem E.
в журнале
Physical Review A - Atomic, Molecular, and Optical Physics
, издательство
American Physical Society
(United States)
, том 77, № 1
2008
Fluorescence emission of disperse red 1 in solution at room temperature
Toro Carlos
,
Thibert Arthur
,
De Boni Leonardo
,
Masunov Arteem E.
,
Hernandez Florencio E.
в журнале
Journal of Physical Chemistry B
, издательство
American Chemical Society
(United States)
, том 112, № 3, с. 929-937
2008
Potential energy curves and electronic structure of 3d transition metal hydrides and their cations
Goel Satyender
,
Masunov Artem E.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 129, № 21
2008
Quantum chemistry of the minimal CdSe clusters
Yang Ping
,
Tretiak Sergei
,
Masunov Artem E.
,
Ivanov Sergei
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 129, № 7
2008
Untangling the excited states of DR1 in solution: An experimental and theoretical study
De Boni Leonardo
,
Toro Carlos
,
Masunov Artem E.
,
Hernandez Florencio E.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 112, № 17, с. 3886-3890
2006
Two-photon excitation of substituted enediynes
Kauffman J.F.
,
Turner J.M.
,
Alabugin IV
,
Breiner B.
,
Kovalenko S.V.
,
Badaeva E.A.
,
Masunov A.
,
Tretiak S.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 110, № 1, с. 241-251
2005
Role of donor-acceptor strengths and separation on the two-photon absorption response of cytotoxic dyes: A TD-DFT study
Badaeva E.A.
,
Timofeeva T.V.
,
Masunov A.M.
,
Tretiak S.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 109, № 32, с. 7276-7284
2005
Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores
Masunov A.
,
Tretiak S.
,
Hong J.W.
,
Liu B.
,
Bazan G.C.
в журнале
Journal of Chemical Physics
, издательство
AIP Publishing
(United States)
, том 122, № 22
2004
Calculations of the third-order nonlinear optical responses in push-pull chromophores with a time-dependent density functional theory
Kobko N.
,
Masunov A.
,
Tretiak S.
в журнале
Chemical Physics Letters
, издательство
Elsevier BV
(Netherlands)
, том 392, № 4-6, с. 444-451
2004
Prediction of two-photon absorption properties for organic chromophores using time-dependent density-functional theory
Masunov A.M.
,
Tretiak S.
в журнале
Journal of Physical Chemistry B
, издательство
American Chemical Society
(United States)
, том 108, № 3, с. 899-907
2003
A disilapentalene and a stable diradical from the reaction of a dilithiosilole with a dichlorocyclopropene
Toulokhonova I.S.
,
Stringfellow T.C.
,
Ivanov S.A.
,
Masunov A.
,
West R.
в журнале
Journal of the American Chemical Society
, издательство
American Chemical Society
(United States)
, том 125, № 19, с. 5767-5773
2003
Potentials of mean force between ionizable amino acid side chains in water
Masunov A.
,
Lazaridis T.
в журнале
Journal of the American Chemical Society
, издательство
American Chemical Society
(United States)
, том 125, № 7, с. 1722-1730
2002
Contributions to the binding free energy of ligands to avidin and streptavidin
Lazaridis T.
,
Masunov A.
,
Gandolfo F.
в журнале
Proteins: Structure, Function and Bioinformatics
, издательство
Wiley-Liss Inc
(United States)
, том 47, № 2, с. 194-208
2002
Distance and exposure dependent effective dielectric function
Mallik B.
,
Masunov A.
,
Lazaridis T.
в журнале
Journal of Computational Chemistry
, издательство
John Wiley & Sons Inc.
(United States)
, том 23, № 11, с. 1090-1099
2001
ACD/I-Lab 4.5: An Internet service review
Masunov A.
в журнале
Journal of chemical information and computer sciences
, издательство
American Chemical Society
(United States)
, том 41, № 4, с. 1093-1095
2001
C-H bond-shortening upon hydrogen bond formation: Influence of an electric field
Masunov A.
,
Dannenberg J.J.
,
Contreras R.H.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 105, № 19, с. 4737-4740
2000
Theoretical study of urea and thiourea. 2. Chains and ribbons
Masunov A.
,
Dannenberg J.J.
в журнале
Journal of Physical Chemistry B
, издательство
American Chemical Society
(United States)
, том 104, № 4, с. 806-810
1999
Are hydrogen bonds covalent or electrostatic?: A molecular orbital comparison of molecules in electric fields and H-bonding environments
Dannenberg J.J.
,
Haskamp L.
,
Masunov A.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 103, № 35, с. 7083-7086
1999
Theoretical study of urea. I. Monomers and dimers
Masunov A.
,
Dannenberg J.J.
в журнале
The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
, издательство
American Chemical Society
(United States)
, том 103, № 1, с. 178-184
1996
A theoretical investigation of the C-H center dot center dot center dot O interaction between substituted phenylacetylenes and water
Masunov A.
,
Dannenberg J.J.
в журнале
Journal of Molecular Structure: THEOCHEM
, издательство
Elsevier BV
(Netherlands)
, том 371, с. 17-19
1996
Proximity effects on nuclear spin-spin coupling constants .2. The electric field effect on (1)J(CH) couplings
Giribet C.G.
,
Vizioli C.V.
,
deAzua M.C.R
,
Contreras R.H.
,
Dannenberg J.J.
,
Masunov A.
в журнале
Journal of Chemical Society, Faraday Transaction 1
, том 92, № 17, с. 3029-3033
1994
Topological analysis of electron-density in chlorine crystals
Vyboishchikov Sf
,
Masunov Ae
,
Streltsov Va
,
Zorkii Pm
,
Tsirelson Vg
в журнале
Zhurnal Fizicheskoi Khimii
, том 68, № 11, с. 2024-2028
1994
Topological properties of electron-density in the h-+h2co reaction system
Vyboishchikov S.F.
,
Masunov A.E.
в журнале
Journal of Molecular Structure: THEOCHEM
, издательство
Elsevier BV
(Netherlands)
, том 117, с. 161-167
1993
Calculation of steric screening of metal atom in complexonates in tpse program
Panfilov T.V.
,
Gladkikh O.P.
,
Masunov A.E.
,
Porai-Koshits M.A.
в журнале
Koordinatsionnaya Khimiya
, том 19, № 1, с. 15-18
1993
Effect of specific intermolecular interactions on crystalline-structure - uracyl derivatives and analogs
Masunov A.E.
,
Grishchenko S.I.
,
Zorkii P.M.
в журнале
Zhurnal Fizicheskoi Khimii
, том 67, № 2, с. 221-239
1993
Stereoelectronic model of the structure of layered crystals of binary dihalides
Masunov A.E.
в журнале
Koordinatsionnaya Khimiya
, том 19, № 4, с. 261-268
1993
Structural-relaxation mechanism of crystal electroconductivity
Masunov A.E.
,
Gladkikh O.P.
,
Zorkii P.M.
в журнале
Zhurnal Fizicheskoi Khimii
, том 67, № 7, с. 1418-1421
1993
Structure and biononequivalence of methyluracyl polymorphous forms
Leonidov N.B.
,
Zorkii P.M.
,
Masunov A.E.
,
Gladkikh O.P.
,
Belskii V.K.
,
Dzyabchenko A.V.
,
Ivanov S.A.
в журнале
Zhurnal Fizicheskoi Khimii
, том 67, № 12, с. 2464-2468
1992
Donor-acceptor nature of specific nonbonded interactions of sulfur and halogen atoms - influence on the geometry and packing of molecules
Masunov A.E.
,
Zorkii P.M.
в журнале
Journal of Structural Chemistry
, издательство
Maik Nauka/Interperiodica Publishing
(Russian Federation)
, том 33, № 3, с. 423-435
1992
Geometric characteristics of halogen-halogen intermolecular contacts in organic-crystals
Masunov A.E.
,
Zorkii P.M.
в журнале
Zhurnal Fizicheskoi Khimii
, том 66, № 1, с. 60-69
1990
X-ray-diffraction studies of electron-density in organic-crystals
Zorkii P.M.
,
Masunov A.E.
в журнале
Успехи химии
, издательство
АНО «Успехи химии»
(Москва)
, том 59, № 7, с. 1027-1051
1988
Quantitative comparison of continuous charge-distributions in molecules
Masunov A.E.
,
Zorkii P.M.
в журнале
Вестник Московского университета. Серия 2: Химия
, издательство
Издательский дом МГУ
(Москва)
, том 29, № 2, с. 131-136
Статьи в сборниках
2022
Combined approach to conformational analysis of 4-hydroxyproline containing podands using NMR and molecular dynamics simulation
Makarov Gennady
,
Borodina Olga
,
Masunov Artem
,
Ovchinnikova Irina
,
Titova Yulia
,
Fedorova Olga
,
Bartashevich Ekaterina
в сборнике
AIP Conference Proceedings
, место издания
AIP Publishing
, том 2390, с. 020045
DOI
2009
Modeling of Selective Carbon Nanotubes Growth for Non-classical Memory Applications
Goel S.
,
Masunov A.E.
в сборнике
Third International Conference on Quantum, Nano and Micro Technologies (ICQNM 2009)
, с. 162-166
DOI