High-temperature thermoelectric transport behavior of the Al/γ-Al2O3 interface: impact of electron and phonon scattering at nanoscale metal-ceramic contacts
Samanta, Pabitra Narayan, Leszczynski, Jerzy
Published in Physical chemistry chemical physics : PCCP (30.05.2018)
Published in Physical chemistry chemical physics : PCCP (30.05.2018)
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Journal Article
Recent Advances of In-Silico Modeling of Potent Antagonists for the Adenosine Receptors
Samanta, Pabitra Narayan, Kar, Supratik, Leszczynski, Jerzy
Published in Current pharmaceutical design (01.01.2019)
Published in Current pharmaceutical design (01.01.2019)
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Journal Article
Negative thermal quenching of photoluminescence in a copper-organic framework emitter
Wu, Ting, Jiang, Shenlong, Samanta, Pabitra Narayan, Xie, Yangbin, Li, Jipeng, Wang, Xiaoling, Devashis, Majumdar, Gu, Xiangwei, Wang, Yusong, Huang, Wei, Zhang, Qun, Leszczynski, Jerzy, Wu, Dayu
Published in Chemical communications (Cambridge, England) (14.10.2020)
Published in Chemical communications (Cambridge, England) (14.10.2020)
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Journal Article
Chirality Dependence of Electron Transport Properties of Single-Walled GeC Nanotubes
Samanta, Pabitra Narayan, Das, Kalyan Kumar
Published in Journal of physical chemistry. C (10.01.2013)
Published in Journal of physical chemistry. C (10.01.2013)
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Journal Article
Electron transport properties of zigzag single walled tin carbide nanotubes
Samanta, Pabitra Narayan, Das, Kalyan Kumar
Published in Computational materials science (01.01.2014)
Published in Computational materials science (01.01.2014)
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Journal Article
Elucidating Atomistic Insight into the Dynamical Responses of the SARS-CoV‑2 Main Protease for the Binding of Remdesivir Analogues: Leveraging Molecular Mechanics To Decode the Inhibition Mechanism
Samanta, Pabitra Narayan, Majumdar, Devashis, Leszczynski, Jerzy
Published in Journal of chemical information and modeling (12.06.2023)
Published in Journal of chemical information and modeling (12.06.2023)
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Journal Article
Effects of graphene reinforcement on morphology, thermophysical, and mechanical properties of polyvinyl alcohol and polyacrylamide in condensed phases
Samanta, Pabitra Narayan, Majumdar, Devashis, Leszczynski, Jerzy
Published in Computational and theoretical chemistry (01.11.2024)
Published in Computational and theoretical chemistry (01.11.2024)
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Journal Article
First-principles modeling of complexation of anticancer antibiotics with fullerene (C60) nanocage: Probing non-covalent interactions by vibrational and electronic spectroscopy
Neal, Richard, Samanta, Pabitra Narayan, Leszczynski, Jerzy
Published in Journal of molecular structure (05.05.2022)
Published in Journal of molecular structure (05.05.2022)
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Journal Article
High-temperature thermoelectric transport behavior of the Al/γ-Al 2 O 3 interface: impact of electron and phonon scattering at nanoscale metal-ceramic contacts
Samanta, Pabitra Narayan, Leszczynski, Jerzy
Published in Physical chemistry chemical physics : PCCP (30.05.2018)
Published in Physical chemistry chemical physics : PCCP (30.05.2018)
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Journal Article
Deciphering the Impact of Surface Defects and Functionalization on the Binding Strength and Electronic Properties of Graphene–Polypyrrole Nanocomposites: A First-Principles Approach
Samanta, Pabitra Narayan, Das, Kalyan Kumar
Published in Journal of physical chemistry. C (07.03.2019)
Published in Journal of physical chemistry. C (07.03.2019)
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Journal Article
First-Principles Approach for Assessing Cold Electron Injection Efficiency of Dye-Sensitized Solar Cell: Elucidation of Mechanism of Charge Injection and Recombination
Samanta, Pabitra Narayan, Majumdar, D, Roszak, Szczepan, Leszczynski, Jerzy
Published in Journal of physical chemistry. C (06.02.2020)
Published in Journal of physical chemistry. C (06.02.2020)
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Journal Article
Ultrahigh Capacitive Energy Density in Stratified 2D Nanofiller-Based Polymer Dielectric Films
Singh, Maninderjeet, Das, Priyanka, Samanta, Pabitra Narayan, Bera, Sumit, Thantirige, Rukshan, Shook, Brian, Nejat, Roushanak, Behera, Banarji, Zhang, Qiqi, Dai, Qilin, Pramanik, Avijit, Ray, Paresh, Raghavan, Dharmaraj, Leszczynski, Jerzy, Karim, Alamgir, Pradhan, Nihar R.
Published in ACS nano (24.10.2023)
Published in ACS nano (24.10.2023)
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Journal Article
Inhibition activities of catechol diether based non-nucleoside inhibitors against the HIV reverse transcriptase variants: Insights from molecular docking and ONIOM calculations
Samanta, Pabitra Narayan, Das, Kalyan Kumar
Published in Journal of molecular graphics & modelling (01.08.2017)
Published in Journal of molecular graphics & modelling (01.08.2017)
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Journal Article