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Niranjan Ilawe
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引用次数
引用次数
年份
A non-thermal plasma route to plasmonic TiN nanoparticles
A Alvarez Barragan, NV Ilawe, L Zhong, BM Wong, L Mangolini
The Journal of Physical Chemistry C 121 (4), 2316-2322, 2017
1112017
Polarizabilities of π-conjugated chains revisited: improved results from broken-symmetry range-separated DFT and new CCSD (T) benchmarks
MB Oviedo, NV Ilawe, BM Wong
Journal of chemical theory and computation 12 (8), 3593-3602, 2016
962016
Breaking badly: DFT-D2 gives sizeable errors for tensile strengths in palladium-hydride solids
NV Ilawe, JA Zimmerman, BM Wong
Journal of chemical theory and computation 11 (11), 5426-5435, 2015
872015
Effect of quantum tunneling on the efficiency of excitation energy transfer in plasmonic nanoparticle chain waveguides
NV Ilawe, MB Oviedo, BM Wong
Journal of Materials Chemistry C 6 (22), 5857-5864, 2018
662018
Real-time quantum dynamics of long-range electronic excitation transfer in plasmonic nanoantennas
NV Ilawe, MB Oviedo, BM Wong
Journal of chemical theory and computation 13 (8), 3442-3454, 2017
582017
Chemical and radiation stability of ionic liquids: A computational screening study
NV Ilawe, J Fu, S Ramanathan, BM Wong, J Wu
The Journal of Physical Chemistry C 120 (49), 27757-27767, 2016
512016
Assessing backbone solvation effects in the conformational propensities of amino acid residues in unfolded peptides
NV Ilawe, AE Raeber, R Schweitzer-Stenner, SE Toal, BM Wong
Physical Chemistry Chemical Physics 17 (38), 24917-24924, 2015
472015
Is a cross-β-sheet structure of low molecular weight peptides necessary for the formation of fibrils and peptide hydrogels?
NV Ilawe, R Schweitzer-Stenner, D DiGuiseppi, BM Wong
Physical Chemistry Chemical Physics 20 (27), 18158-18168, 2018
402018
Sultam-based hetero [5] helicene: synthesis, structure, and crystallization-induced emission enhancement
TS Virk, NV Ilawe, G Zhang, CP Yu, BM Wong, JMW Chan
ACS omega 1 (6), 1336-1342, 2016
222016
Unusual bandgap oscillations in template-directed π-conjugated porphyrin nanotubes
SI Allec, NV Ilawe, BM Wong
The Journal of Physical Chemistry Letters 7 (13), 2362-2367, 2016
162016
Real-time density functional tight binding: a new computational tool for probing electronic properties of plasmonic systems
NV Ilawe, BM Wong
Tech Connect Briefs 4, 220-223, 2018
22018
Density Functional Theory Methods for Computing and Predicting Mechanical Properties
NV Ilawe, MN Cercy Groulx, BM Wong
Multiscale Materials Modeling for Nanomechanics, 131-158, 2016
22016
Polarizabilities of pi-conjugated polymers revisited: Improved results from broken-symmetry, range-separated DFT
B Wong, N Ilawe, M Oviedo
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
Probing Electronic and Optical Properties of Complex Chemical and Material Systems
NV Ilawe
University of California, Riverside, 2018
2018
Unraveling excitation energy transfer mechanisms in plasmonic nanoantennas
N Ilawe, B Wong, M Oviedo
APS March Meeting Abstracts 2018, C12. 005, 2018
2018
Large-Scale DFT Calculations for the Discovery of Novel Nanotubes
S Allec, N Ilawe, B Wong
APS March Meeting Abstracts 2018, C12. 011, 2018
2018
Real-time density functional tight binding: A new computational approach for probing plasmonic properties of large material systems
B Wong, N Ilawe, M Oviedo
APS March Meeting Abstracts 2018, E29. 009, 2018
2018
Systematic analysis of plasmonic resonances using GPU-enabled real-time, time-dependent DFTB
N Ilawe, M Oviedo, B Wong
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
2017
Polarizabilities of pi-conjugated chains revisited: Improved results from broken-symmetry, range-separated DFT
B Wong, M Oviedo, N Ilawe
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
2017
Plasmonic resonances: A systematic analysis of metallic nanoparticles using real-time, time-dependent DFTB
N Ilawe
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
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