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ResearcherID: X-9935-2018
Scopus Author ID: 57204434951
Loop profile: 1221781

Keywords

Electronic Structure Calculations

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India

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Works (17)

Tough, durable and strongly bonded self-healing cartilage-mimicking noncovalently assembled hydrogel nanostructures: the interplay between experiment and theory

Nanoscale
2025 | Journal article
DOI: 10.1039/D4NR03322A
Contributors: Shikha Awasthi; Sarvesh Kumar Pandey; Hulikere Jagdish Shwetha; Nehal; S. Selvaraj
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Surface Functionalized Zinc Composite Coatings: A Review

Advanced Engineering Materials
2025-01 | Journal article
DOI: 10.1002/adem.202401597
Contributors: Shikha Awasthi; Blanca Prior Palomero; Ankur Srivastava; Sankar Selvaraj; Deepak Kumar; Sarvesh Kumar Pandey
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Translational applications of magnetic nanocellulose composites

Nanoscale
2024 | Journal article
DOI: 10.1039/D4NR01794C
Contributors: Shikha Awasthi; Komal; Sarvesh Kumar Pandey
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Dimeric BODIPY Donors Based on the Donor–Acceptor Structure for All-Small-Molecule Organic Solar Cells

ACS Applied Energy Materials
2024-12-09 | Journal article
DOI: 10.1021/acsaem.4c02425
Contributors: Le Wang; Minhao Zhu; Tingting Gu; Xu Liang; Sarvesh Kumar Pandey; Haijun Xu; Rahul Singhal; Ganesh D. Sharma
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Graphene/MWCNT/copper-nanoparticle fabricated printed electrode for diclofenac detection in milk and drinking water: Electrochemical and in-silico analysis

Journal of Molecular Liquids
2024-10 | Journal article
DOI: 10.1016/j.molliq.2024.125750
Contributors: Sudip Das; Arghya Chakravorty; Aditya Raj; Sahil Luktuke; Aarcha Appu Mini; Shikha Awasthi; Siva Sankar Sana; Sarvesh Kumar Pandey; Vimala Raghavan
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Development of fluorescent carbon nanoparticles from Madhuca longifolia flower for the sensitive and selective detection of Cr6+: a collective experimental–computational approach

Nanoscale Advances
2023 | Journal article
DOI: 10.1039/D3NA00289F
Contributors: Tuhin Mandal; Ashish Kumar Ghosh; Shiv Rag Mishra; Sarvesh Kumar Pandey; Vikram Singh
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New Insights into the Formation of CH3OCH3 and CH3SCH3 without and with the Assistance of Na+ Ions and Some Implications for Interstellar Chemistry: An In Silico Approach

ACS Earth and Space Chemistry
2023-02-16 | Journal article
DOI: 10.1021/acsearthspacechem.2c00292
Contributors: Sarvesh Kumar Pandey; Subharaj Hossain; Elangnnan Arunan
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Bulk heterojunction organic photovoltaic cells based on D–A type BODIPY small molecules as non-fullerene acceptors

Journal of Materials Chemistry C
2022 | Journal article
DOI: 10.1039/D2TC02497G
Contributors: Ting Wei; Hemraj Dahiya; Xu Liang; Weihua Zhu; Sarvesh Kumar Pandey; Manish Kumar Singh; Haijun Xu; Ganesh D. Sharma
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Load-bearing study and interfacial interactions of hydroxyapatite composite coatings for bone tissue engineering

Materials Chemistry Frontiers
2022 | Journal article
DOI: 10.1039/D2QM00898J
Contributors: Shikha Awasthi; Sarvesh Kumar Pandey; Jeet Kumar Gaur; Chandan Srivastava
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Crossref

Alkynyl BODIPY-Core Bridged Perylene Diimide Star-Shaped Nonfullerene Acceptors for Efficient Polymer Solar Cells

ACS Applied Energy Materials
2022-12-26 | Journal article
DOI: 10.1021/acsaem.2c03200
Contributors: Xuanlai Zong; Hemraj Dahiya; Yuting Song; Xu Liang; Sarvesh Kumar Pandey; Haijun Xu; Ganesh D. Sharma
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Structure, Stability, and Electronic Feature Analyses of Substrates (Methyl Orange and Vanadium Oxide)-Surfactant (Triton X-100) Complex: A Computational Insight

Current Applied Polymer Science
2022-04 | Journal article
DOI: 10.2174/2452271605666220315155041
Contributors: Rama Satya Sarveswara Srikanth Vemuri; Sarvesh Kumar Pandey; Govinda Prasad Khanal
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Novel and Polynuclear K- and Na-Based Superalkali Hydroxides as Superbases Better Than Li-Related Species and Their Enhanced Properties: An Ab Initio Exploration

ACS Omega
2021-11-23 | Journal article
DOI: 10.1021/acsomega.1c04395
Contributors: Sarvesh Kumar Pandey
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High-Strength, Strongly Bonded Nanocomposite Hydrogels for Cartilage Repair

ACS Applied Materials & Interfaces
2021-06-02 | Journal article
DOI: 10.1021/acsami.1c05394
Contributors: Shikha Awasthi; Jeet Kumar Gaur; Sarvesh Kumar Pandey; Musuvathi S. Bobji; Chandan Srivastava
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Effects of Multiple OH/SH Substitution on the H‐Bonding/Stability versus Aromaticity of Benzene Rings: From Computational Insights

ChemistrySelect
2021-05-27 | Journal article
DOI: 10.1002/slct.202100689
Contributors: Sarvesh Kumar Pandey; Elangannan Arunan
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Computational Study on the Structure, Stability, and Electronic Feature Analyses of Trapped Halocarbons inside a Novel Bispyrazole Organic Molecular Cage

ACS Omega
2021-05-04 | Journal article
DOI: 10.1021/acsomega.1c01019
Contributors: Sarvesh Kumar Pandey
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Adsorption mechanism of carboxymethyl cellulose onto mesoporous mustard carbon: Experimental and theoretical aspects

Colloids and Surfaces A: Physicochemical and Engineering Aspects
2019-11 | Journal article
DOI: 10.1016/j.colsurfa.2019.123786
Contributors: Kaman Singh; Ashok Kumar; Shikha Awasthi; Sarvesh Kumar Pandey; Prashant Mishra
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Crossref

Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach

The Journal of Physical Chemistry A
2017-08-17 | Journal article
DOI: 10.1021/acs.jpca.7b04752
Contributors: Sarvesh Kumar Pandey; Dhivya Manogaran; Sadasivam Manogaran; Henry F. Schaefer, III
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Peer review (3 reviews for 2 publications/grants)

Review activity for Langmuir : (1)
Review activity for Spectrochimica acta. (2)
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