Get started
Author

Rajappan Vetrivel

Molecular Modeling of Interactions of Diphosphonic Acid Based Surfactants with Calcium Minerals
2002 · Pradip, Beena Rai, et al. · Langmuir · 122
Insights into the formation of hydroxyl ions in calcium carbonate: temperature dependent FTIR and molecular modelling studies
2000 · Satish I. Kuriyavar, Rajappan Vetrivel, et al. · Journal of Materials Chemistry · 115
Molecular Modeling of Interactions of Alkyl Hydroxamates with Calcium Minerals
2002 · Pradip, Beena Rai, et al. · Journal of Colloid and Interface Science · 104
Calculation of29Si and27Al MAS NMR Chemical Shifts in Zeolite-β Using Density Functional Theory: Correlation with Lattice Structure
1998 · G. Valerio, A. Goursot, et al. · Journal of the American Chemical Society · 79
Crystalline, microporous zirconium silicates with MFI structure
1997 · B. Rakshe, V. Ramaswamy, et al. · Catalysis Letters · 78
Zn-Doped CeO2 Nanorods for Glycerol Carbonylation with CO2
2021 · Nagendra Kulal, Rajappan Vetrivel, et al. · ACS Applied Nano Materials · 74
The Local Hard−Soft Acid−Base Principle: A Critical Study
1997 · Sailaja Krishnamurty, Ram Kinkar Roy, et al. · The Journal of Physical Chemistry A · 64
Study of the Activity of Ga-ZSM-5 in the de-NOx Process by a Combination of Quantum Chemistry, Molecular Dynamics, and Computer Graphics Methods
1995 · Hiroaki Himei, Michiyuki Yamadaya, et al. · The Journal of Physical Chemistry · 63
Physicochemical Investigations of the Basicity of the Cation Exchanged ETS-10 Molecular Sieves
2003 · Suresh B. Waghmode, Rajappan Vetrivel, et al. · The Journal of Physical Chemistry B · 62
Density functional theory calculations of the reaction pathway for methane activation on a gallium site in metal exchanged ZSM-5
1995 · Ewa Broclawik, Hiroaki Himei, et al. · The Journal of Chemical Physics · 60
Development of RYUGA for three-dimensional dynamic visualization of molecular dynamics results
1995 · Ryuji Miura, Hideo Yamano, et al. · Catalysis Today · 57
Structure and dissociation mechanisms of methanol in ZSM-5 zeolite
1989 · R. Vetrivel, C. R. A. Catlow, et al. · The Journal of Physical Chemistry · 46
Adsorption Sites and Diffusion Mechanism of Alkylbenzenes in Large Pore Zeolite Catalysts as Predicted by Molecular Modeling Techniques
1998 · Ramesh Ch. Deka, Rajappan Vetrivel · Journal of Catalysis · 41
Computer-aided design of active catalysts for the removal of nitric oxide
1994 · A. Miyamoto, H. Himei, et al. · Catalysis Today · 41
A model cluster study of the acid-base properties of phosphate catalysts
1985 · J.B. Moffat, R. Vetrivel, et al. · Journal of Molecular Catalysis · 40
The distribution of framework aluminum atoms and extraframework exchanged cations in faujasite as studied by molecular dynamics, NMR simulation, neutron diffraction simulation and computer graphics
1996 · Hiroaki Himei, Michiyuki Yamadaya, et al. · Microporous Materials · 39
Molecular design of carbon nanotubes for the separation of molecules
1995 · H. Takaba, M. Katagiri, et al. · Microporous Materials · 39
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
2001 · K. Sreekumar, Thomas Mathew, et al. · Applied Catalysis A General · 36
Application of Hard−Soft Acid−Base Principle To Study Brönsted Acid Sites in Zeolite Clusters: A Quantum Chemical Study
1999 · Ramesh Ch. Deka, Rajappan Vetrivel, et al. · The Journal of Physical Chemistry A · 35
Anisotropic Chemical Shielding, M-Site Ordering, and Characterization of Extraframework Cations in ETS-10 Studied through MAS/MQ-MAS NMR and Molecular Modeling Techniques
1998 · S. Ganapathy, T. K. Das, et al. · Journal of the American Chemical Society · 35
Computer simulation studies on the role of templating organic molecules in the synthesis of ZSM-5
1995 · Abhijit Chatterjee, Rajappan Vetrivel · Journal of the Chemical Society Faraday Transactions · 32
Integrated DFT and experimental study on Co3O4/CeO2 catalyst for direct synthesis of dimethyl carbonate from CO2
2022 · Nagendra Kulal, Soumya S. Bhat, et al. · Journal of CO2 Utilization · 29
PDF
Mechanism of the formation of ultrafine gold particles on MgO(100) as investigated by molecular dynamics and computer graphics
1995 · Momoji Kubo, Ryuji Miura, et al. · Applied Surface Science · 26
Electronic and structural properties of aluminum in the ZSM-5 framework
1994 · A. Chatterjee, R. Vetrivel · Microporous Materials · 25
Non-empirical quantum-chemical calculations on ZSM-5 zeolites. I. Brønsted acid sites
1988 · R. Vetrivel, Charles Richard Arthur Catlow, et al. · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 25
Works count: 110
Citation count: 1,948
H-index: 25
I10-index: 51
Year
Topic
Type