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Iffat Nayyar
Iffat Nayyar
Подтвержден адрес электронной почты в домене pnnl.gov
Название
Процитировано
Процитировано
Год
An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage
MD Allendorf, Z Hulvey, T Gennett, A Ahmed, T Autrey, J Camp, ES Cho, ...
Energy & Environmental Science 11 (10), 2784-2812, 2018
2002018
Self-trapping of excitons, violation of Condon approximation, and efficient fluorescence in conjugated cycloparaphenylenes
L Adamska, I Nayyar, H Chen, AK Swan, N Oldani, S Fernandez-Alberti, ...
Nano letters 14 (11), 6539-6546, 2014
1652014
Localization of electronic excitations in conjugated polymers studied by DFT
IH Nayyar, ER Batista, S Tretiak, A Saxena, DL Smith, RL Martin
The Journal of Physical Chemistry Letters 2 (6), 566-571, 2011
1102011
Comparison of TD-DFT methods for the calculation of two-photon absorption spectra of oligophenylvinylenes
IH Nayyar, AE Masunov, S Tretiak
The Journal of Physical Chemistry C 117 (35), 18170-18189, 2013
782013
Design of a new optical material with broad spectrum linear and two-photon absorption and solvatochromism
WV Moreshead, OV Przhonska, MV Bondar, AD Kachkovski, IH Nayyar, ...
The Journal of Physical Chemistry C 117 (44), 23133-23147, 2013
552013
Role of geometric distortion and polarization in localizing electronic excitations in conjugated polymers
IH Nayyar, ER Batista, S Tretiak, A Saxena, DL Smith, RL Martin
Journal of Chemical Theory and Computation 9 (2), 1144-1154, 2013
552013
Spectrally resolved hyperfine interactions between polaron and nuclear spins in organic light emitting diodes: Magneto-electroluminescence studies
SA Crooker, F Liu, MR Kelley, NJD Martinez, W Nie, A Mohite, IH Nayyar, ...
Applied Physics Letters 105 (15), 2014
492014
Two-photon absorption spectrum of a single crystal cyanine-like dye
H Hu, DA Fishman, AO Gerasov, OV Przhonska, S Webster, LA Padilha, ...
The Journal of Physical Chemistry Letters 3 (9), 1222-1228, 2012
332012
Electronic and Optical Properties of a Semiconducting Spinel (Fe2CrO4)
SA Chambers, TC Droubay, TC Kaspar, IH Nayyar, ME McBriarty, ...
Advanced Functional Materials 27 (9), 1605040, 2017
272017
Effect of trans‐and cis‐isomeric defects on the localization of the charged excitations in π‐conjugated organic polymers
IH Nayyar, ER Batista, S Tretiak, A Saxena, DL Smith, RL Martin
Journal of Polymer Science Part B: Polymer Physics 51 (12), 935-942, 2013
172013
Physi-Sorption of H2 on Pure and Boron–Doped Graphene Monolayers: A Dispersion–Corrected DFT Study
I Nayyar, B Ginovska, A Karkamkar, T Gennett, T Autrey
C 6 (1), 15, 2020
152020
Electronic structure and optical properties of α-(Fe1-xVx) 2O3 solid-solution thin films
SE Chamberlin, IH Nayyar, TC Kaspar, PV Sushko, SA Chambers
Applied Physics Letters 106 (4), 2015
152015
Two-photon absorption spectra predicted by semiempirical methods
IH Nayyar, AE Masunov
Journal of Computational and Theoretical Nanoscience 11 (10), 2208-2220, 2014
102014
Analysis of Intermediates and Products from the Dehydrogenation of Mg(BH4)2
IH Nayyar, B Ginovska, M Bowden, G Edvenson, B Tran, T Autrey
The Journal of Physical Chemistry A 126 (3), 444-452, 2022
82022
Effect of doping and chemical ordering on the optoelectronic properties of complex oxides: Fe 2 O 3–V 2 O 3 solid solutions and hetero-structures
IH Nayyar, SE Chamberlin, TC Kaspar, N Govind, SA Chambers, ...
Physical Chemistry Chemical Physics 19 (2), 1097-1107, 2017
82017
Solitonic waves in polyene dications and principles of charge carrier localization in π‐conjugated organic materials
AO Gerasov, IH Nayyar, AE Masunov, OV Przhonska, OD Kachkovsky, ...
International Journal of Quantum Chemistry 112 (14), 2659-2667, 2012
82012
Structural and reorientational dynamics of tetrahydroborate (BH 4−) and tetrahydrofuran (THF) in a Mg (BH 4) 2· 3THF adduct: Neutron-scattering characterization
M Dimitrievska, M Chong, ME Bowden, H Wu, W Zhou, I Nayyar, ...
Physical Chemistry Chemical Physics 22 (1), 368-378, 2020
72020
Bifrucation mechanisms in complex hydrides. Understanding formation of highly unstable intermediates formed in hydrogen release
I Nayyar, T Autrey
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
Electronic, magnetic, and optical properties of Semiconducting Spinel FeCrO
T Droubay, T Kaspar, I Nayyar, D Keavney, P Sushko, S Chambers
Bulletin of the American Physical Society 62, 2017
2017
Electronic, magnetic, and optical properties of Semiconducting Spinel Fe2CrO4
T Droubay, T Kaspar, I Nayyar, D Keavney, P Sushko, S Chambers
APS March Meeting Abstracts 2017, B43. 007, 2017
2017
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