Publications & Works

Articles Published in Journals That Entered SCI, SSCI and AHCI Indexes

Role of chromium in Cr–Fe oxide catalysts for high temperature water-gas shift reaction – A DFT study

International Journal of Hydrogen Energy, vol.46, no.33, pp.17154-17162, 2021 (Journal Indexed in SCI) identifier identifier

DFT Study on the Hydrogenation of CO2 to Methanol on Ho-Doped Cu(211) Surface

JOURNAL OF PHYSICAL CHEMISTRY C, vol.124, no.41, pp.22426-22434, 2020 (Journal Indexed in SCI) Sustainable Development identifier identifier

A density functional theory study of propylene epoxidation mechanism on Ag2O(001) surface

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol.20, no.41, pp.26681-26687, 2018 (Journal Indexed in SCI) identifier identifier identifier

A DFT study on the [VO](1+)-ZSM-5 cluster: direct methanol oxidation to formaldehyde by N2O

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol.15, no.33, pp.13969-13977, 2013 (Journal Indexed in SCI) identifier identifier

Effect of Surface and Oxygen Coverage on Ethylene Epoxidation

TOPICS IN CATALYSIS, vol.55, pp.710-717, 2012 (Journal Indexed in SCI) identifier identifier

Why silver is the unique catalyst for ethylene epoxidation

JOURNAL OF CATALYSIS, vol.284, no.2, pp.230-235, 2011 (Journal Indexed in SCI) identifier identifier

Ethylene epoxidation catalyzed by chlorine-promoted silver oxide

JOURNAL OF PHYSICS-CONDENSED MATTER, vol.23, no.40, 2011 (Journal Indexed in SCI) identifier identifier

An ONIOM and DFT Study of Water and Ammonia Adsorption on Anatase TiO2 (001) Cluster

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol.111, no.9, pp.2149-2159, 2011 (Journal Indexed in SCI) identifier identifier

Investigation of ruthenium-copper bimetallic catalysts for direct epoxidation of propylene: A DFT study

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, vol.330, pp.107-111, 2010 (Journal Indexed in SCI) identifier identifier

A Density Functional Study of 1, 1, 5-Tris(4-dimethylaminophenyl)-3-methyl-divinylene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol.110, no.5, pp.1041-1047, 2010 (Journal Indexed in SCI) identifier identifier

High Throughput Synthesis and Screening of New Catalytic Materials for the Direct Epoxidation of Propylene

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, vol.13, no.1, pp.67-74, 2010 (Journal Indexed in SCI) Creative Commons License identifier identifier identifier

Oxidation of Benzene to Phenol by N2O on an Fe2+-ZSM-5 Cluster: A Density Functional Theory Study

JOURNAL OF PHYSICAL CHEMISTRY C, vol.113, no.34, pp.15307-15313, 2009 (Journal Indexed in SCI) identifier identifier

A density functional theory study of oxidation of benzene to phenol by N2O on Fe- and Co-ZSM-5 clusters

TURKISH JOURNAL OF CHEMISTRY, vol.33, no.3, pp.333-345, 2009 (Journal Indexed in SCI) identifier identifier

A Density Functional Study of Ni-2 and Ni-13 Nanoclusters

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, vol.6, no.4, pp.867-872, 2009 (Journal Indexed in SCI) identifier identifier

N2O decomposition on Fe- and Co-ZSM-5: A density functional study

CATALYSIS TODAY, vol.137, pp.410-417, 2008 (Journal Indexed in SCI) identifier identifier

Synthesis of ZSM-5 from modified clinoptilolite and its catalytic activity in alkylation of benzene to ethylbenzene

CHEMICAL ENGINEERING COMMUNICATIONS, vol.195, no.8, pp.1043-1057, 2008 (Journal Indexed in SCI) identifier identifier

Adsorption of water and ammonia on TiO2-anatase cluster models

SURFACE SCIENCE, vol.600, no.12, pp.2457-2469, 2006 (Journal Indexed in SCI) identifier identifier

Partial oxidation of methane on the SiO2 surface - A quantum chemical study

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, vol.39, no.2, pp.250-258, 2000 (Journal Indexed in SCI) identifier identifier

Quantum chemical study of the catalytic oxidative coupling of methane

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, vol.36, no.10, pp.4028-4032, 1997 (Journal Indexed in SCI) identifier identifier

Formation of trace byproducts in the premixed flames of CH3Cl/C2H4

ENVIRONMENTAL SCIENCE & TECHNOLOGY, vol.31, no.5, pp.1372-1381, 1997 (Journal Indexed in SCI) identifier identifier

THE SIMULATION OF ATMOSPHERIC FLUIDIZED-BED COMBUSTORS WITH IN-SITU DESULFURIZATION

JOURNAL OF THE INSTITUTE OF ENERGY, vol.66, no.469, pp.159-168, 1993 (Journal Indexed in SCI) Sustainable Development identifier

SIMULATION AND OPTIMIZATION OF 3 EXISTING ETHYLBENZENE DEHYDROGENATION REACTORS IN SERIES

MATHEMATICAL AND COMPUTER MODELLING, vol.14, pp.263-267, 1990 (Journal Indexed in SCI) identifier identifier