Journal Articles:
2025
30. Anand M Verma, Shivam Chaturvedi, Swastik Paul, Srinibas Nandi, Rahul Sheshanarayana, Kotni Santhosh, G Valavarasu, Ambedkar Dukkipati, Chuandayani Gunawan Gwie, Pei Ying Moo, Chun Qi Joy Ng, Amol Amrute, Ananth Govind Rajan, "Data-driven massive reaction networks reveal new pathways underlying catalytic CO2 hydrogenation", ChemRxiv, 2025.
(DOI: https://doi.org/10.26434/chemrxiv-2025-pnh6l)
29. Anand M. Verma and Nanda Kishore, "Efficient CO2 reduction to methane on Ru2-based adjacent vacant graphene catalysts: insights into bimetallic synergies, thermodynamics, and kinetics", Catalysis Science & Technology, 15, 2379–2394, 2025. (Publication Date: 17/02/2025)
(DOI: https://doi.org/10.1039/D5CY00005J)
2023
28. Dhruv Lal, Tanmay Konnur, Anand M. Verma, M. Shaneeth, and Ananth Govind Rajan, "Unraveling Low Overpotential Pathways for Electrochemical CO2 Reduction to CH4 on Pure and Doped MoS2 Edges", Industrial & Engineering Chemistry Research, 62, 21191–21207, 2023. (Publication Date: 30/11/2023)
(DOI: https://doi.org/10.1021/acs.iecr.3c02171)
27. Mohammad Saleheen, Osman Mamun, Anand M. Verma, Dia Sahsah, and Andreas Heyden, "Understanding the influence of solvents on the Pt-catalyzed hydrodeoxygenation of guaiacol", Journal of Catalysis, 425, 212-232, 2023. (Publication Date: 20/06/2023)
(DOI: https://doi.org/10.1016/j.jcat.2023.06.009)
26. Anwin John, Anand M. Verma, M Shaneeth, and Ananth Govind Rajan, "Discovering a Single-Atom Catalyst for CO2 Electroreduction to C1 Hydrocarbons: Thermodynamics and Kinetics on Aluminum-Doped Copper", ChemCatChem, 15, e202300188, 2023. (Publication Date: 21/07/2023) (DOI: https://doi.org/10.1002/cctc.202300188)
2022
25. Ankit K. Verma, Anand M. Verma, and Ananth Govind Rajan, "Theoretical understanding of electrochemical phenomena in 2D electrode materials", Current Opinion in Electrochemistry, 36, 101116, 2022. (Publication Date: 08/08/2022)
(DOI: https://doi.org/10.1016/j.coelec.2022.101116)
24. Anand M. Verma, Laura Laverdure, Marko M. Melander, and Karoliina Honkala, "Mechanistic Origins of the pH Dependency in Au-Catalyzed Glycerol Electro-oxidation: Insight from First-Principles Calculations", ACS Catalysis, 12, 662-675, 2022. (Publication Date: 24/12/2021) (DOI: https://doi.org/10.1021/acscatal.1c03788)
2021
23. Anand M. Verma, Karoliina Honkala, and Marko M. Melander, “Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction”, Frontiers in Energy Research, 8, 388(1-15), 2021. (Publication Date: 02/02/2021)
(DOI: https://doi.org/10.3389/fenrg.2020.606742)
22. Anand M. Verma, Satya Pal Singh, and R P Ojha, “Quantum Chemical Study of Gas-Phase Reactions of Isoprene with OH Radicals Producing Highly Oxidized Second-Generation Products”, Journal of Molecular Modelling, 27, 62(1-10), 2021. (Publication Date: 01/02/2021)
(DOI: https://doi.org/10.1007/s00894-021-04666-8 )
2019
21. Kushagra Agrawal, Anand M. Verma, and Nanda Kishore, “DFT Investigation on Thermochemical Analyses of Conversion of Xylose to Linear Alkanes in Aqueous Phase”, Journal of Molecular Graphics and Modelling, 90, 199-209, 2019. (Publication Date: 09/05/2019)
(DOI: https://doi.org/10.1016/j.jmgm.2019.05.005)
20. Kushagra Agrawal, Anand M. Verma, and Nanda Kishore, “Thermochemical Conversion of Guaiacol in Aqueous Phase by Density Functional Theory”, ChemistrySelect, 4, 6013-6025, 2019. (Publication Date: 27/05/2019)
(DOI: https://doi.org/10.1002/slct.201900437)
19. Anand M. Verma and Nanda Kishore, "First-Principles Study on Gas-Phase Decomposition of Bio-oil Oxygenated Compounds over Palladium Catalyst Surface", Physical Chemistry Chemical Physics, 21, 22320-22330, 2019. (Publication Date: 16/09/2019)
(DOI: https://doi.org/10.1039/C9CP04858H)
18. Minttu M. Kauppinen, Ville Korpelin, Anand M. Verma, Marko M. Melander, and Karoliina Honkala, "Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters", Journal of Chemical Physics, 151, 164302(1-11), 2019. (Publication Date: 22/10/2019)
(DOI: https://doi.org/10.1063/1.5126261) "Editors’ Choice (2019)".
17. Mohammad Saleheen, Anand M. Verma, Osman Mamun, Jianmin Lu, and Andreas Heyden, "Investigation of Solvent Effects on the Hydrodeoxygenation of Guaiacol over Ru Catalysts", Catalysis Science & Technology, 9, 6253-6273, 2019. (Publication Date: 03/10/2019)
(DOI: https://doi.org/10.1039/C9CY01763A) "2019 Catalysis Science & Technology HOT Articles"
2018
16. Anand M. Verma, Kushagra Agrawal, Harshal D. Kawale, and Nanda Kishore, “Production of Toluene by Decomposition of 2-Hydroxy-6-methylbenzaldehyde: A DFT Study”, ChemistrySelect, 3, 12279-12288, 2018. (Publication Date: 03/01/2018)
(DOI: https://doi.org/10.1002/slct.201702339)
15. Anand M. Verma, Harshal D. Kawale, Kushagra Agrawal, and Nanda Kishore, “Quantum Chemical Study on Gas Phase Pyrolysis of p-Isopropenylphenol”, Journal of Molecular Graphics and Modelling, 81, 134-145, 2018. (Publication Date: 09/03/2018)
(DOI: https://doi.org/10.1016/j.jmgm.2018.02.018)
14. Anand M. Verma, Kushagra Agrawal, Harshal D. Kawale, and Nanda Kishore, “Quantum Chemical Study on Gas Phase Decomposition of Ferulic Acid”, Molecular Physics, 116, 1895-1907, 2018. (Publication Date: 27/04/2018)
(DOI: https://doi.org/10.1080/00268976.2018.1464223)
13. Anand M. Verma, Kushagra Agrawal, and Nanda Kishore, “Binding of Phenolic Model Compounds with Noble Metal Doped Graphene Sheets”, Computational and Theoretical Chemistry, 1134, 37-46, 2018. (Publication Date: 02/05/2018)
(DOI: https://doi.org/10.1016/j.comptc.2018.05.001)
12. Anand M. Verma, Kushagra Agrawal, and Nanda Kishore, “Computational Study on Ring Saturation of 2-Hydroxybenzaldehyde Using Density Functional Theory”, ACS Omega, 3, 8546-8552, 2018. (Publication Date: 01/08/2018)
(DOI: https://doi.org/10.1021/acsomega.8b01003)
11. Anand M. Verma and Nanda Kishore, “Molecular Modeling Approach to Elucidate Gas Phase Hydrodeoxygenation of Guaiacol over a Pd(111) Catalyst within DFT Framework”, Journal of Molecular Modelling, 24, 254(1-16), 2018. (Publication Date: 27/08/2018)
(DOI: https://doi.org/10.1007/s00894-018-3803-8 )
10. Anand M. Verma, Kushagra Agrawal, and Nanda Kishore, “Elucidation of Novel Mechanisms to Produce Value-Added Chemicals from Vapour Phase Conversion of Ferulic Acid”, Theoretical Chemistry Accounts, 137, 122(1-10), 2018. (Publication Date: 30/08/2018)
(DOI: https://doi.org/10.1007/s00214-018-2311-3 )
9. Anand M. Verma and Nanda Kishore, “Decomposition Mechanisms of Acetic Acid over Ru and Ru/MgO Clusters under DFT Framework”, Chemical Physics Letters, 711, 156-165,2018. (Publication Date: 14/09/2018)
(DOI: https://doi.org/10.1016/j.cplett.2018.09.030)
2017
8. Anand M. Verma and Nanda Kishore, “Molecular Simulations of Palladium Catalysed Hydrodeoxygenation of 2-Hydroxybenzaldehyde using Density Functional Theory”, Physical Chemistry Chemical Physics, 19, 25582-25597, 2017. (Publication Date: 29/08/2017)
(DOI: https://doi.org/10.1039/C7CP05113A)
7. Anand M. Verma and Nanda Kishore, “Gas Phase Conversion of Eugenol into Various Hydrocarbons and Platform Chemicals”, RSC Advances, 7, 2527-2543, 2017. (Publication Date: 12/01/2017)
(DOI: https://doi.org/10.1039/C6RA26357G)
6. Anand M. Verma and Nanda Kishore, “Molecular Modelling Approach to Elucidate the Thermal Decomposition Routes of Vanillin”, New Journal of Chemistry, 41, 8845-8859, 2017. (Publication Date: 04/07/2017)
(DOI: https://doi.org/10.1039/C7NJ02004J)
5. Anand M. Verma and Nanda Kishore, “Thermochemistry Analyses for the transformation of C6 Glucose compound into C9, C12, and C15 Alkanes using Density Functional Theory”, Molecular Physics, 115, 413-423, 2017. (Publication Date: 27/12/2016)
(DOI: https://doi.org/10.1080/00268976.2016.1269962 )
4. Anand M. Verma and Nanda Kishore, “DFT Study on Gas Phase Hydrodeoxygenation of Guaiacol by Various Reaction Schemes”, Molecular Simulation, 43, 141-153, 2017. (Publication Date: 17/10/2016)
(DOI: https://doi.org/10.1080/08927022.2016.1239825 )
3. Anand M. Verma and Nanda Kishore, “Production of Benzene from 2-Hydroxybenzaldehyde by Various Reaction Paths using IRC Calculations within a DFT framework”, ChemistrySelect, 2, 1556-1564, 2017. (Publication Date: 08/02/2017)
(DOI: https://doi.org/10.1002/slct.201601633)
2. Anand M. Verma and Nanda Kishore, “Platinum Catalysed Hydrodeoxygenation of Guaiacol in Illumination of Cresol Production: a Density Functional Theory Study”, Royal Society Open Science, 4, 170650(1-12), 2017. (Publication Date: 08/11/2017)
(DOI: https://doi.org/10.1098/rsos.170650)
2016
1. Anand M. Verma and Nanda Kishore, “DFT Analyses of Reaction Pathways and Temperature Effects on various Guaiacol Conversion Reactions in Gas Phase Environment”, ChemistrySelect, 1, 6196-6205, 2016. (Publication Date: 17/11/2016)
(DOI: https://doi.org/10.1002/slct.201601139)