R. Vetrivel

Chemistry · Physical Sciences

24h-index1.9kcitations110works5.52yr avg
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Research Topics

Zeolite Catalysis and Synthesis(57), Catalysis and Oxidation Reactions(29), Catalytic Processes in Materials Science(28), Advanced Chemical Physics Studies(17), Mesoporous Materials and Catalysis(17)

Publications110 total

Molecular Structure, Optical Properties and Docking Studies of 2-Amino-5-Chloropyridine through Quantum Chemical Studies
International Journal of Advanced Science and Engineering·2025Open Access
The influence of catalyst structure on acidic strength of –SO3H groups for alkyl levulinate synthesis from biomass–derived feedstocks using sulfonic acid functionalized flexible MOF catalyst
Chemical Engineering Journal·2024· 11 cited
Integrated DFT and experimental study on Co3O4/CeO2 catalyst for direct synthesis of dimethyl carbonate from CO2
Journal of CO2 Utilization·2022· 22 citedOpen Access
Selective synthesis of furfuryl acetate over solid acid catalysts and active site exploration using density functional theory
Catalysis Science & Technology·2022· 6 cited
Integrated Dft and Experimental Study on Co3o4/Ceo2 Catalyst for Direct Synthesis of Dimethyl Carbonate from Co2
SSRN Electronic Journal·2022Open Access
Zn-Doped CeO<sub>2</sub> Nanorods for Glycerol Carbonylation with CO<sub>2</sub>
ACS Applied Nano Materials·2021· 61 cited
Green route for carbonylation of amines by CO2 using Sn-Ni-O bifunctional catalyst and theoretical study for finding best suited active sites
Chemical Engineering Journal·2021· 19 cited
Influence of Cation Exchange on M-Pt-ETS-10 Molecular Sieve:  Correlation between ab Initio Results, Catalytic Activity, and Physicochemical Investigations
The Journal of Physical Chemistry B·2004· 16 cited
Physicochemical Investigations of the Basicity of the Cation Exchanged ETS-10 Molecular Sieves
The Journal of Physical Chemistry B·2003· 60 cited
Developing the Molecular Modelling of Diffusion in Zeolites as a High Throughput Catalyst Screening Technique
Combinatorial Chemistry & High Throughput Screening·2003· 6 cited
Molecular Modeling of Interactions of Alkyl Hydroxamates with Calcium Minerals
Journal of Colloid and Interface Science·2002· 100 cited
Molecular Modeling of Interactions of Diphosphonic Acid Based Surfactants with Calcium Minerals
Langmuir·2002· 120 cited
Quantum chemical calculations on the stability of different conformations of silicate building block structures in relevance to zeolite synthesis
Microporous and Mesoporous Materials·2001· 2 cited
Vapor-phase methylation of pyridine with methanol to 3-picoline over Zn1−xCoxFe2O4 (x=0, 0.2, 0.5, 0.8 and 1.0)-type ternary spinels prepared via a low temperature method
Applied Catalysis A General·2001· 36 cited
15-P-09-n-Hexane aromatization over Pt-alkaline zeolites: ab-initio calculations on the influence of the exchanged cations and zeolite type (L, β and Y) on electronic properties of Pt
Studies in surface science and catalysis·2001
Molecular modeling studies on zeolite catalysts for shape-selective electrophilic substitution: formation of xylenes
Microporous and Mesoporous Materials·2000· 9 cited
Selective synthesis of 3-picoline via the vapor-phase methylation of pyridine with methanol over Ni1-xCo x Fe2O4 (x = 0, 0.2, 0.5, 0.8 and 1.0) type ferrites
Catalysis Letters·2000· 22 cited
Insights into the formation of hydroxyl ions in calcium carbonate: temperature dependent FTIR and molecular modelling studies
Journal of Materials Chemistry·2000· 113 cited
Molecular Modeling Studies on Zeolite Catalysts for Shape-Selective Electrophilic Substitution: I Acylation of 2-Methoxynaphthalene
Bulletin of the Chemical Society of Japan·1999· 12 cited
Prediction of 29Si MAS NMR chemical shifts in zeolites using density functional theory
Microporous and Mesoporous Materials·1999· 11 cited
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Frequent Co-authors

Momoji Kubo(12), Ewa Brocławik(6), Akira Miyamoto(6), S. Sivasanker(5), Hiroaki Himei(4), Ganapati V. Shanbhag(4), Suresh B. Waghmode(4), Ryo Yamauchi(4), C. Richard A. Catlow(4), Akira Miyamoto(4), Abhijit Chatterjee(4), S. Prasad(4), Sourav Pal(3), Michiyuki Yamadaya(3), Nagendra Kulal(3), Chinnakonda S. Gopinath(3), Ayaho Miyamoto(3), M. Katagiri(3), Ramesh C. Deka(3), Yasunori Oumi(3)