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Browse by Current Cardiff authors

Number of items: 17.

Agrawal, Kushagra, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Kishore, Nanda and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2022. Dehydrogenation and dehydration of formic acid over orthorhombic molybdenum carbide. Catalysis Today 384-6 , pp. 197-208. 10.1016/j.cattod.2021.04.011
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Agrawal, Kushagra, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Kishore, Nanda and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2022. Hydrodeoxygenation of guaiacol over orthorhombic molybdenum carbide: a DFT and microkinetic study. Catalysis Science & Technology 12 (3) , pp. 843-854. 10.1039/D1CY01273H
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Agrawal, Kushagra and Kishore, Nanda 2021. Computational study on adsorption characteristics of phenol and guaiacol over single and multiple nitrogen-doped graphene. ChemistrySelect 6 (30) , pp. 7682-7690. 10.1002/slct.202102060

Chakraborty, Pritam, Agrawal, Kushagra and Kishore, Nanda 2020. Kinetic modeling of conversion of levulinic Acid to valeric acid in supercritical water using the density functional theory framework. Industrial & Engineering Chemistry Research 59 (41) 10.1021/acs.iecr.0c02807

Agrawal, Kushagra, Chakraborty, Pritam and Kishore, Nanda 2020. Thermochemical mapping of levulinic acid conversion to pentane in supercritical water within the framework of density functional theory. Energy and Fuels 34 (9) , pp. 11061-11072. 10.1021/acs.energyfuels.0c01906

Ahmed, Gaffer, Acharya, Sneha, Agrawal, Kushagra and Kishore, Nanda 2020. Green organic synthesis in supercritical water. Inamuddin, Rajender Boddula and Asiri, Abdulah M., eds. Green Sustainable Process for Chemical and Environmental Engineering and Science: Sustainable Organic Synthesis, Elsevier, pp. 263-285. (10.1016/B978-0-12-819539-0.00011-7)

Agrawal, Kushagra and Kishore, Nanda 2020. Study of conversion of bio-oil model compounds in supercritical water using density functional theory. Scientific Reports 10 (1) , 9247. 10.1038/s41598-020-66237-w
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Agrawal, Kushagra and Kishore, Nanda 2020. DFT study on dibenzofuran conversion to cyclohexane and benzene in gas, water and methanol solvents. Journal of Molecular Graphics and Modelling 99 , 107629. 10.1016/j.jmgm.2020.107629

Agrawal, Kushagra, Verma, Anand Mohan and Kishore, Nanda 2019. DFT investigation on thermochemical analyses of conversion of xylose to linear alkanes in aqueous phase. Journal of Molecular Graphics and Modelling 90 , pp. 199-209. 10.1016/j.jmgm.2019.05.005

Agrawal, Kushagra, Verma, Anand M. and Kishore, Nanda 2019. Thermochemical conversion of guaiacol in aqueous phase by density functional theory. ChemistrySelect 4 (20) , pp. 6013-6025. 10.1002/slct.201900437

Agrawal, Kushagra and Kishore, Nanda 2019. Computational study on kinetics of conversion of bio-oil model compound - Anisole, to platform chemicals. Journal of Physics: Conference Series 1276 (1) , 012071. 10.1088/1742-6596/1276/1/012071
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Verma, Anand Mohan, Agrawal, Kushagra and Kishore, Nanda 2018. Computational study on ring saturation of 2-hydroxybenzaldehyde using density functional theory. ACS Omega 3 (8) , 8546–8552. 10.1021/acsomega.8b01003

Verma, Anand Mohan, Agrawal, Kushagra and Kishore, Nanda 2018. Elucidation of novel mechanisms to produce value-added chemicals from vapour phase conversion of ferulic acid. Theoretical Chemistry Accounts: Theory, Computation, and Modeling 137 (9) , 122. 10.1007/s00214-018-2311-3

Verma, Anand Mohan, Agrawal, Kushagra and Kishore, Nanda 2018. Binding of phenolic model compounds with noble metal doped graphene sheets. Computational and Theoretical Chemistry 1134 , pp. 37-46. 10.1016/j.comptc.2018.05.001

Mohan Verma, Anand, Kawale, Harshal D., Agrawal, Kushagra and Kishore, Nanda 2018. Quantum chemical study on gas phase pyrolysis of p-isopropenylphenol. Journal of Molecular Graphics and Modelling 81 , pp. 134-145. 10.1016/j.jmgm.2018.02.018

Verma, Anand Mohan, Agrawal, Kushagra, Kawale, Harshal D. and Kishore, Nanda 2018. Quantum chemical study on gas phase decomposition of ferulic acid. Molecular Physics 116 (14) , pp. 1895-1907. 10.1080/00268976.2018.1464223

Verma, Anand Mohan, Agrawal, Kushagra, Kawale, Harshal D. and Kishore, Nanda 2018. Production of toluene by decomposition of 2-hydroxy-6-methylbenzaldehyde: a DFT study. ChemistrySelect 3 (1) , pp. 220-229. 10.1002/slct.201702339

This list was generated on Mon May 27 06:15:38 2024 BST.