Anand Mohan Verma


Anand Mohan Verma

Assistant Professor
Department of Chemical Engineering
Motilal Nehru National Institute of Technology Allahabad, Prayagraj, India-211004
E-mail: amverma[at]mnnit[dot]ac[dot]in
Telephone: +91-7663 070 315(O) Research Website: ht(M)

Research Publications

Articles

2023

  1. John, A.; Verma, A.M.; Shaneeth, M. and Govind Rajan, A. Discovering a Single-Atom Catalyst for CO2 Electroreduction to C1 Hydrocarbons: Thermodynamics and Kinetics on Aluminum-Doped Copper. In ChemCatChem, 15 (14), 2023. doi 
  2. Saleheen, M.; Mamun, O.; Verma, A. M.; Sahsah, D. and Heyden, A. Understanding the influence of solvents on the Pt-catalyzed hydrodeoxygenation of guaiacol. In Journal of Catalysis, 425: 212-232, 2023. doi 

2022

  1. Verma, A.K.; Verma, A.M. and Govind Rajan, A. Theoretical understanding of electrochemical phenomena in 2D electrode materials. In Current Opinion in Electrochemistry, 36, 2022. doi 
  2. Verma, A.M.; Laverdure, L.; Melander, M.M. and Honkala, K. Mechanistic Origins of the pH Dependency in Au-Catalyzed Glycerol Electro-oxidation: Insight from First-Principles Calculations. In ACS Catalysis, 12 (1): 662-675, 2022. doi 

2021

  1. Verma, A.M.; Honkala, K. and Melander, M.M. Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction. In Frontiers in Energy Research, 8, 2021. doi 
  2. Verma, A.M.; Singh, S.P. and Ojha, R.P. Quantum chemical study of gas-phase reactions of isoprene with OH radicals producing highly oxidised second-generation products. In Journal of Molecular Modeling, 27 (2), 2021. doi 

2019

  1. Kauppinen, M.M.; Korpelin, V.; Verma, A.M.; Melander, M.M. and Honkala, K. Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters. In Journal of Chemical Physics, 151 (16), 2019. doi 
  2. Agrawal, K.; Verma, A.M. and Kishore, N. DFT investigation on thermochemical analyses of conversion of xylose to linear alkanes in aqueous phase. In Journal of Molecular Graphics and Modelling, 90: 199-209, 2019. doi 
  3. Agrawal, K.; Verma, A.M. and Kishore, N. Thermochemical Conversion of Guaiacol in Aqueous Phase by Density Functional Theory. In ChemistrySelect, 4 (20): 6013-6025, 2019. doi 
  4. Saleheen, M.; Verma, A.M.; Mamun, O.; Lu, J. and Heyden, A. Investigation of solvent effects on the hydrodeoxygenation of guaiacol over Ru catalysts. In Catalysis Science and Technology, 9 (22): 6253-6273, 2019. doi 
  5. Verma, A.M. and Kishore, N. First-principles study on the gas-phase decomposition of bio-oil oxygenated compounds over the palladium catalyst surface. In Physical Chemistry Chemical Physics, 21 (40): 22320-22330, 2019. doi 

2018

  1. Verma, A.M. and Kishore, N. Decomposition of acetic acid over Ru and Ru/MgO catalyst clusters under DFT framework. In Chemical Physics Letters, 711: 156-165, 2018. doi 
  2. Verma, A.M.; Agrawal, K. and Kishore, N. Elucidation of novel mechanisms to produce value-added chemicals from vapour phase conversion of ferulic acid. In Theoretical Chemistry Accounts, 137 (9), 2018. doi 
  3. Verma, A.M. and Kishore, N. Molecular modeling approach to elucidate gas phase hydrodeoxygenation of guaiacol over a Pd(111) catalyst within DFT framework. In Journal of Molecular Modeling, 24 (9), 2018. doi 
  4. Verma, A.M.; Agrawal, K. and Kishore, N. Computational Study on Ring Saturation of 2-Hydroxybenzaldehyde Using Density Functional Theory. In ACS Omega, 3 (8): 8546-8552, 2018. doi 
  5. Verma, A.M.; Agrawal, K.; Kawale, H.D. and Kishore, N. Quantum chemical study on gas phase decomposition of ferulic acid. In Molecular Physics, 116 (14): 1895-1907, 2018. doi 
  6. Verma, A.M.; Agrawal, K. and Kishore, N. Binding of phenolic model compounds with noble metal doped graphene sheets. In Computational and Theoretical Chemistry, 1134: 37-46, 2018. doi 
  7. Verma, A.M. and Kishore, N. Kinetics of decomposition reactions of acetic acid using DFT approach. In Open Chemical Engineering Journal, 12: 14-23, 2018. doi 
  8. Verma, A.M.; Agrawal, K.; Kawale, H.D. and Kishore, N. Production of toluene by decomposition of 2-hydroxy-6-methylbenzaldehyde: A DFT study. In ChemistrySelect, 3 (1): 220-229, 2018. doi 

2017

  1. Verma, A.M. and Kishore, N. Platinum catalyzed hydrodeoxygenation of guaiacol in illumination of cresol production: A density functional theory study. In Royal Society Open Science, 4 (11), 2017. doi 
  2. Verma, A.M. and Kishore, N. Thermochemistry analyses for transformation of C6 glucose compound into C9, C12 and C15 alkanes using density functional theory. In Molecular Physics, 115 (4): 413-423, 2017. doi 
  3. Verma, A.M. and Kishore, N. Production of Benzene from 2-Hydroxybenzaldehyde by Various Reaction Paths using IRC Calculations within a DFT framework. In ChemistrySelect, 2 (4): 1556-1564, 2017. doi 
  4. Verma, A.M. and Kishore, N. DFT study on gas-phase hydrodeoxygenation of guaiacol by various reaction schemes. In Molecular Simulation, 43 (2): 141-153, 2017. doi 
  5. Verma, A.M. and Kishore, N. Molecular simulations of palladium catalysed hydrodeoxygenation of 2-hydroxybenzaldehyde using density functional theory. In Physical Chemistry Chemical Physics, 19 (37): 25582-25597, 2017. doi 
  6. Verma, A.M. and Kishore, N. Molecular modelling approach to elucidate the thermal decomposition routes of vanillin. In New Journal of Chemistry, 41 (17): 8845-8859, 2017. doi 
  7. Verma, A.M. and Kishore, N. Gas phase conversion of eugenol into various hydrocarbons and platform chemicals. In RSC Advances, 7 (5): 2527-2543, 2017. doi 

2016

  1. Verma, A.M. and Kishore, N. DFT Analyses of Reaction Pathways and Temperature Effects on various Guaiacol Conversion Reactions in Gas Phase Environment. In ChemistrySelect, 1 (19): 6196-6205, 2016. doi