Sharma S. R. K. C. Yamijala
Freestanding Borophene and Its Hybrids
P Ranjan, TK Sahu, R Bhushan, SS Yamijala, DJ Late, P Kumar, A Vinu
Advanced Materials 31 (27), 1970196, 2019
Linear and Nonlinear Optical Properties of Graphene Quantum Dots: A Computational Study
SS Yamijala, M Mukhopadhyay, SK Pati
The Journal of Physical Chemistry C 119 (21), 12079-12087, 2015
Non-proteinaceous Hydrolase Comprised of a Phenylalanine Metallo-supramolecular Amyloid-like Structure
P Makam, SS Yamijala, K Tao, LJW Shimon, DS Eisenberg, MR Sawaya, ...
Nature catalysis 2 (11), 977-985, 2019
Structural Stability, Electronic, Magnetic, and Optical Properties of Rectangular Graphene and Boron-nitride Quantum Dots: Effects of Size, Substitution, and Electric Field
SS Yamijala, A Bandyopadhyay, SK Pati
The Journal of Physical Chemistry C 117 (44), 23295-23304, 2013
Tuning the Electronic and Optical Properties of Graphene and Boron-nitride Quantum Dots by Molecular Charge-transfer Interactions: A Theoretical Study
A Bandyopadhyay, SS Yamijala, SK Pati
Physical Chemistry Chemical Physics 15 (33), 13881-13887, 2013
Alpha Lead Oxide (αPbO): A New 2D Material with Visible Light Sensitivity
P Kumar, J Liu, P Ranjan, Y Hu, SS Yamijala, SK Pati, J Irudayaraj, ...
Small 14 (12), 1703346, 2018
The Interaction of Halogen Molecules with SWNTs and Graphene
S Ghosh, SS Yamijala, SK Pati, CNR Rao
RSC Advances 2 (3), 1181-1188, 2012
Quasi-diabatic Representation for Nonadiabatic Dynamics Propagation
A Mandal, SS Yamijala, P Huo
Journal of Chemical Theory and Computation 14 (4), 1828-1840, 2018
Electronic and Magnetic Properties of Zigzag Boron-nitride Nanoribbons with Even and Odd-line Stone-Wales (5–7 Pair) Defects
SS Yamijala, SK Pati
The Journal of Physical Chemistry C 117 (7), 3580-3594, 2013
A machine learning approach for predicting defluorination of per-and polyfluoroalkyl substances (PFAS) for their efficient treatment and removal
A Raza, S Bardhan, L Xu, SS Yamijala, C Lian, H Kwon, BM Wong
Environmental Science & Technology Letters 6 (10), 624-629, 2019
Electronic Properties of Zigzag, Armchair and their Hybrid Quantum Dots of Graphene and Boron-nitride with and without Substitution: A DFT Study
SS Yamijala, A Bandyopadhyay, SK Pati
Chemical Physics Letters 603, 28-32, 2014
Pressure Induced Structural, Electronic Topological, and Semiconductor to Metal Transition in AgBiSe2
V Rajaji, PS Malavi, SS Yamijala, YA Sorb, U Dutta, SN Guin, B Joseph, ...
Applied Physics Letters 109 (17), 171903, 2016
Clean WS2 and MoS2 Nanoribbons Generated by Laser-Induced Unzipping of the Nanotubes
K Vasu, SS Yamijala, Z Alla, G K, KP Swapan, CNR Rao
Small 11 (32), 3916-3920, 2015
Photochemistry of Plasmonic Titanium Nitride Nanocrystals
AA Barragan, S Hanukovich, K Bozhilov, SS Yamijala, BM Wong, ...
The Journal of Physical Chemistry C 123 (35), 21796-21804, 2019
A Hexanuclear Cu (I) Cluster Supported by Cuprophilic Interaction: Effects of Aromatics on Luminescence Properties
A Chakraborty, KK Ramachandran, SS Yamijala, SK Pati, TK Maji
RSC Advances 4 (66), 35167-35170, 2014
Computational Studies on Structural and Excited State Properties of Modified Chlorophyll f with Various Axial Ligands
SS Yamijala, G Periyasamy, SK Pati
The Journal of Physical Chemistry A 115 (44), 12298–12306, 2011
Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au20 over Its Tetrahedral Conformer: A Systematic DFT Study
SS Yamijala, A Bandyopadhyay, SK Pati
The Journal of Physical Chemistry C 118 (31), 17890-17894, 2014
First-principles Investigation of Cubic BaRuO3: A Hund's Metal
N Dasari, SS Yamijala, M Jain, TS Dasgupta, J Moreno, M Jarrell, ...
Physical Review B 94, 085143, 2016
Optical Unzipping of Carbon Nanotubes in Liquid Media
P Kumar, SS Yamijala, SK Pati
The Journal of Physical Chemistry C 120 (30), 16985-16993, 2016
Acceleration vs accuracy: Influence of basis set quality on the mechanism and dynamics predicted by ab initio molecular dynamics
SS Yamijala, ZA Ali, BM Wong
The Journal of Physical Chemistry C 123 (41), 25113-25120, 2019
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