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1 . Academic Journal
Investigation of Structural, Electronic and Optical Properties of Na2InAgCl6, K2InAgCl6, and Rb2InAgCl6 Lead-Free Halide Double Perovskites Regarding with Cs2InAgCl6 Perovskites Cell and a Comparative Study by DFT Functionals
저자
by
Ali, Md. Hazrat
;
Islam, Mohammad Jahidul
;
Kumer, Ajoy
;
Hossain, Md. Sayed
;
Chakma, Unesco
, et al.
소스
Materials Research
. January 2021 24(6)
Open Access (SciELO)
Scopus
Web of Science
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7 . Academic Journal
Theoretical and computational exploration of electronic structure, optical properties, open circuit voltage, and toxicity of perovskites solar Cell:(Cs2SiX6, X = Cl, Br, and I)
저자
by
Ali, Md. Hazrat
;
Khatun, Halima
;
Khan, M.S.S.
;
Roy, Shuva
;
Roy, Shubha
, et al.
소스
In
Hybrid Advances
December 2023 4
Full Text (ScienceDirect)
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7 . Academic Journal
Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking, molecular dynamic, ADMET, QSAR
저자
by
Alam, Mahbub
;
Abser, Mohammed Nurul
;
Kumer, Ajoy
;
Bhuiyan, Md Mosharef Hossain
;
Akter, Parul
, et al.
소스
In
Heliyon
June 2023 9(6)
Full Text (ScienceDirect)
Full Text (ScienceDirect O/A)
Scopus
Web of Science
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7 . Academic Journal
Developing the amazing photocatalyst of ZnAg2GeSe4, ZnAg2Ge0.93Fe0.07Se4 and ZnAg2Ge0.86Fe0.14Se4 through the computational explorations by four DFT functionals
저자
by
Kumer, Ajoy
;
Chakma, Unesco
.
소스
In
Heliyon
July 2021 7(7)
Full Text (ScienceDirect)
Full Text (ScienceDirect O/A)
Scopus
Web of Science
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4 . Academic Journal
Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2.
저자
by
Ahamed, F. M. Mashood
;
Chinnam, Sampath
;
Challa, Malathi
;
Kariyanna, Gurushantha
;
Kumer, Ajoy
, et al.
소스
Polycyclic Aromatic Compounds
. 2024, Vol. 44 Issue 1, p294-312. 19p.
Full Text (ScienceDirect)
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7 . Academic Journal
Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis.
저자
by
Matin, Mohammed M.
;
Kumer, Ajoy
;
Chandro, Akhel
;
Akash, Shopnil
;
Chakma, Unesco
.
소스
Orbital: The Electronic Journal of Chemistry
. Jan-Mar2024, Issue 1, p50-61. 12p.
Scopus
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7 . Academic Journal
A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives.
저자
by
Akash, Shopnil
;
Aovi, Farjana Islam
;
Azad, Md. A. K.
;
Kumer, Ajoy
;
Chakma, Unesco
, et al.
소스
PLoS ONE
. 10/12/2023, Vol. 18 Issue 10, p1-23. 23p.
Scopus
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7 . Academic Journal
First-principles calculations to investigate structural, optical and electronic properties of ZrO
2
, Zr
0.93
Si
0.07
O
2
and Zr
0.86
Si
0.14
O
2
for dye-sensitised solar cells applications.
저자
by
Chakma, Unesco
;
Ali, Md. Hazrat
;
Das, Durjoy Kumar
;
Boidya, Jui Rozline
;
Khan, Md. Barkat Ullah
, et al.
소스
Molecular Simulation
. 2023, Vol. 49 Issue 15, p1389-1400. 12p.
Scopus
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7 . Academic Journal
Anti-lung cancer drug discovery approaches by polysaccharides: an in silico study, quantum calculation and molecular dynamics study.
저자
by
Kobir, Md. Eleas
;
Ahmed, Asif
;
Roni, Md. Abul Hasan
;
Chakma, Unesco
;
Amin, Md. Ruhul
, et al.
소스
Journal of Biomolecular Structure & Dynamics; Aug/Sep2023, Vol. 41 Issue 14, p6616-6632, 17p
Scopus
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7 . Academic Journal
Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization Techniques.
저자
by
Ali, Md. Hazrat
;
Azad, Md. Abul Kalam
;
Khan, K. A.
;
Rahman, Md. Obaidur
;
Chakma, Unesco
, et al.
소스
ACS Omega; 8/8/2023, Vol. 9 Issue 31, p28133-28142, 10p
Scopus
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