Publications

Latest Publications

Latest Publications:

  1. Manjeet Bhatia, A DFT-driven Analysis of Aggregation-Dependent Stability in Alkylpyrazines: Monomers, Dimers, and Beyond, Under review, 2024.

  2. Manjeet Bhatia, A Comprehensive Approach to Assessing Food Safety: Computational Modeling and Mass Spectrometry Analysis of Phthalate Esters, Under review, 2024.

  3. Manjeet Bhatia, Computational Insights into Phthalate Ester-Linked VOCs: A DFT-Based Approach for CI-MS Analysis, Rapid Communications in Mass Spectrometry , 2024. IF=2.00 🔗

  4. Manjeet Bhatia, Unveiling the Multifaceted Nature of 4-(4-Methylphenyl Thio)benzophenone: Electronic Structure and ExcitedStates in Gas Phase and Solvents, Chemistry Select, 2024. IF=2.10 🔗.

  5. Manjeet Bhatia, A DFT Voyage Through the Solvent-mediated Reactivity Landscapes of Food-based Alkylpyrazines Under review, 2024.

  6. Manjeet Bhatia, Ab initio Quantum Mechanical Analysis of Structural, Chemical, and Biological Activity of Flavone: A Potential Antioxidant Agent Under review, 2023.

  7. Manjeet Bhatia, DFT Investigation of 1-Hydroxycyclohexyl Phenyl Ketone (Irgacure 184): Unraveling Molecular Structure and Chemical Reactivity Under review, 2023.

  8. Manjeet Bhatia, Charting the Reactivity Terrain of Benzophenones: A DFT-driven Exploration in Gas and Aqueous Environments, Indian Journal of Advances in Chemical Science, 2024; 12(1): 40-47. 🔗

  9. Manjeet Bhatia, Integrating DFT and CI-MS Techniques to Assess Benzophenone Derivatives in Food Packaging: Implications for Enhancing Food Quality and Safety, 2024., Journal of mass spectrometry , 06 March 2024. IF=2.39 🔗

  10. Manjeet Bhatia, An overview of conceptual-DFT based insights into global chemical reactivity of volatile sulfur compounds (VSCs), Computational Toxicology, 14 December 2023. 🔗

  11. Manjeet Bhatia, A Gaussian process regression (GPR) quest to predict HOMO-LUMO energy, ChemRxiv, July 20, 2023. 🔗

  12. Manjeet Bhatia, A review of parametrized trajectory method-based chemical kinetics application to food and flavor analysis, European Food Research and Technology, 17 May 2023. IF=3.49 🔗

  13. Manjeet Bhatia, A DFT Evaluation of Molecular Reactivity of Volatile Organic Compounds in Support of Chemical Ionization Mass Spectrometry, Computational and Theoretical Chemistry, 1223, 114101 2023. IF=2.29 🔗

  14. Manjeet Bhatia, Gaussian Process Regression (GPR) Method for the Prediction of Rate Coefficients of Gas-phase Reactions in Chemical Ionization Mass Spectrometry, ChemRxiv, Dec 15, 2022. 🔗

  15. Manjeet Bhatia, Nicola Manini, Franco Biasioli, Luca Cappellin, Calculated Rate Coefficients Between CI-MS Reagent Ions and Organosulfur Compounds Causing Food Taints and Off-flavours, International Journal of Mass Spectrometry, 478, 116860 2022. IF=1.93 🔗

  16. Manjeet Bhatia, Nicola Manini, Franco Biasioli, Luca Cappellin, Theoretical Investigation of Charge Transfer from NO+ and O+2 Ions to Wine-Related Volatile Compounds for Mass Spectrometry, Journal of the American Society for Mass Spectrometry, 33, 2, 251-264 2022. IF=3.26 🔗

  17. Manjeet Bhatia, Franco Biasioli, Luca Cappellin, Paolo Piseri, Nicola Manini, Abinitio calculation of the proton transfer reaction rate coefficients to volatile organic compounds related to cork-taint in wine, Journal of Mass Spectrometry, 55(11), e4592, 2020. IF=2.39 🔗

  18. Iuliia Khomenko, Fabio Brambilla, Manjeet Bhatia, Franco Biasioli, PTR-ToF-MS VOC profiling of raw and cooked gilthead sea bream (Sparus aurata) from different geographical origin, CONFERENCE SERIES, pages 220 2019. 🔗

  19. Manjeet Bhatia, Uma Shankar Sharma, Anurag Srivastava, Chromium Influenced High Magnetic Moment and Half-Metallic Nature of GaN Nanotube, Journal of Nanoscience and Nanotechnology, Volume 19, Number 7 2019. IF=1.35 🔗

  20. Manjeet Bhatia, Md. Shahzad Khan and Anurag Srivastava, Pressure induced phase transition in CdTe nanowire: A DFT study, AIP Conference Proceedings, 1953, 040033 (2018). 🔗

  21. Md. Shahzad Khan, Manjeet Bhatia and Anurag Srivastava, Structural and electronic properties of rectangular CdTe nanowire: A DFT study, AIP Conference Proceedings, 1953, 040136 (2018). 🔗

  22. Manjeet Bhatia and Anurag Srivastava, Band gap and magnetic moment of Ga1- xCrxN, AIP Conference Proceedings, 1832, 090045 (2017). 🔗

  23. Manjeet K. Bhatia and G. Ramesh Babu, Electronic transport across a layered structure of Fe/𝛽−poly vinylidene fluoride/Fe using DFT calculations, Journal of Computational Electronics volume 13, pages 613–619 2014. IF=1.98 🔗

Published Journals

Journal of Mass SSpectrometry

Journal of American Society for Mass SSpectrometry

International Journal of Mass Spectrometry

Computational and Theoretical Chemistry

Computational Toxicology

Chemistry Select

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