Puja Adhikari
Puja Adhikari
Подтвержден адрес электронной почты в домене mail.umkc.edu
Structure and electronic properties of a continuous random network model of an amorphous zeolitic imidazolate framework (a-ZIF)
P Adhikari, M Xiong, N Li, X Zhao, P Rulis, WY Ching
The Journal of Physical Chemistry C 120 (28), 15362-15368, 2016
Electronic Structure, Dielectric Response and Surface Charge Distribution of RGD (1FUV) Peptide
P Adhikari, AM Wen, RH French, VA Parsegian, NF Steinmetz, ...
Scientific reports 4 (1), 1-7, 2014
Designing the interface of carbon nanotube/biomaterials for high-performance ultra-broadband photodetection
Y Gong, P Adhikari, Q Liu, T Wang, M Gong, WL Chan, WY Ching, J Wu
ACS applied materials & interfaces 9 (12), 11016-11024, 2017
Intra-and intermolecular atomic-scale interactions in the receptor binding domain of SARS-CoV-2 spike protein: implication for ACE2 receptor binding
P Adhikari, N Li, M Shin, NF Steinmetz, R Twarock, R Podgornik, ...
Physical Chemistry Chemical Physics 22 (33), 18272-18283, 2020
Structure and properties of hydrogrossular mineral series
P Adhikari, CC Dharmawardhana, WY Ching
Journal of the American Ceramic Society 100 (9), 4317-4330, 2017
Deformation behavior of an amorphous zeolitic imidazolate framework–from a supersoft material to a complex organometallic alloy
P Adhikari, N Li, P Rulis, WY Ching
Physical Chemistry Chemical Physics 20 (46), 29001-29011, 2018
Polarity‐Controlled Attachment of Cytochrome C for High‐Performance Cytochrome C/Graphene van der Waals Heterojunction Photodetectors
M Gong, P Adhikari, Y Gong, T Wang, Q Liu, B Kattel, WY Ching, ...
Advanced Functional Materials 28 (5), 1704797, 2018
Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K2Mg (H2P2O7)2·2H2O
P Adhikari, R Khaoulaf, H Ez-Zahraouy, WY Ching
Royal Society open science 4 (12), 170982, 2017
First‐principles study in an inter‐granular glassy film model of silicon nitride
WY Ching, M Yoshiya, P Adhikari, P Rulis, Y Ikuhara, I Tanaka
Journal of the American Ceramic Society 101 (7), 2673-2688, 2018
Amino acid interacting network in the receptor-binding domain of SARS-CoV-2 spike protein
P Adhikari, WY Ching
RSC Advances 10 (65), 39831-39841, 2020
Atomic-scale understanding of structure and properties of complex pyrophosphate crystals by first-principles calculations
R Khaoulaf, P Adhikari, M Harcharras, K Brouzi, H Ez-Zahraouy, ...
Applied Sciences 9 (5), 840, 2019
Metallic ternary telluride with sphalerite superstructure
A Adhikary, S Mohapatra, SH Lee, YS Hor, P Adhikari, WY Ching, ...
Inorganic chemistry 55 (5), 2114-2122, 2016
Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus
WY Ching, P Adhikari, B Jawad, R Podgornik
Computational and Structural Biotechnology Journal 19, 1288-1301, 2021
Conspicuous interatomic bonding in chalcogenide crystals and implications on electronic, optical, and elastic properties
S Hasan, P Adhikari, K Baral, WY Ching
AIP Advances 10 (7), 075216, 2020
Ab initio electronic dielectric “constant” of proteins: a baseline for electrostatic interaction in biomolecular systems
P Adhikari, R Podgornik, B Jawad, WY Ching
Electronic structure and mechanical properties of crystalline precipitate phases M23C6 (M= Cr, W, Mo, Fe) in Ni-based superalloys
P Adhikari, S San, C Zhou, R Sakidja, WY Ching
Materials Research Express 6 (11), 116323, 2019
DFT Study of Electronic Structure and Optical Properties of Kaolinite, Muscovite, and Montmorillonite
L Shafei, P Adhikari, WY Ching
Crystals 11 (6), 618, 2021
Key interacting residues between RBD of SARS-CoV-2 and ACE2 receptor: Combination of molecular dynamic simulation and density functional calculation
B Jawad, P Adhikari, R Podgornik, WY Ching
Molecular Dynamics (MD) Potential Development for Carbides
T McGilvry-James, M Rabbani, N Baishnab, P Adhikari, S San, A Duff, ...
Bulletin of the American Physical Society 65, 2020
Origin of the existence of inter‐granular glassy films in β‐Si3N4
P Adhikari, L Shafei, S San, P Rulis, WY Ching
Journal of the American Ceramic Society 103 (2), 737-743, 2020
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