| Impacts of oxidant characteristics on the ignition of n-propanol-air hydrothermal flames in supercritical water SN Reddy, S Nanda, P Kumar, MC Hicks, UG Hegde, JA Kozinski Combustion and Flame 203, 46-55, 2019 | 23 | 2019 |
| Multi-doped borophene catalysts with engineered defects for CO2 reduction: A DFT study NK Singh, P Kumar, A Yadav, VC Srivastava Journal of Colloid and Interface Science 654, 895-905, 2024 | 19 | 2024 |
| Efficient one-pot two-step electrochemical synthesis of highly oxidized graphene oxide for enhanced energy and environmental applications: Structure elucidation through DFT … N Kumar, S Verma, P Kumar, AA Khan, J Park, VC Srivastava Carbon 218, 118722, 2024 | 14 | 2024 |
| Elucidation of Catalytic Propane Dehydrogenation Using Theoretical and Experimental Approaches: Advances and Outlook P Kumar, VC Srivastava Energy & Fuels 37 (23), 18369–18394, 2023 | 11 | 2023 |
| Ethane and Propane Dehydrogenation on Small Platinum Clusters Supported on Silica: An Ab Initio Molecular Dynamics and DFT Study P Kumar, VC Srivastava ChemPlusChem 89 (2), e202300347, 2024 | 3 | 2024 |
| Oxidative pyrolysis of alkali lignin using nitrogen functionalized graphene oxide-cerium oxide nanocatalysts: Mechanistic insights thorough density functional theory S Kumar, P Kumar, N Kumar, J Park, VC Srivastava Bioresource Technology 418, 131985, 2025 | 1 | 2025 |
| Solvent-Selective Fluorescence Sensing of Mg2+ and Al3+ Ions by Pincer-Type NNO Schiff Base Ligand: An Experimental and DFT Optimized Approach K Dev, S Singh, S Bhardwaj, P Kukreti, D Ramakanth, P Kumar, S Saini, ... Chemistry (Weinheim an der Bergstrasse, Germany), e202403256, 2024 | 1 | 2024 |
| Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study S Dahiya, P Kumar, VC Srivastava, V Kumar Industrial & Engineering Chemistry Research 62 (18), 6920–6931, 2023 | 1 | 2023 |
| Propylene carbonate synthesis routes using CO2: DFT and thermodynamic analysis A Katiyar, P Kumar, VC Srivastava, V Kumar Journal of Molecular Structure 1321, 139935, 2025 | | 2025 |
| Revealing Activity of Symmetrical and Asymmetrical Ag2O‐MOx (M= Cu, Fe, Zn) Catalysts via DFT Calculations for Direct Propylene Epoxidation P Kumar, VC Srivastava Advanced Theory and Simulations, 2400716, 2024 | | 2024 |
| Theoretical Investigation of Ag-Cu Based Metal Organic Frameworks for Separation of Propane and Propylene Via Dft Calculations P Kumar, VC Srivastava Available at SSRN 4890053, 0 | | |
Vimal Chandra srivastavaProfessor of Chemical Egineering, Indian Institute of Technology Roorkee, RoorkeeDirección de correo verificada de iitr.ac.in
