Publications & Works

Published journal articles indexed by SCI, SSCI, and AHCI

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 (SCI-Expanded) Sustainable Development 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 (SCI-Expanded) identifier identifier

Why silver is the unique catalyst for ethylene epoxidation

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

Adsorption of water and ammonia on TiO2-anatase cluster models

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

Quantum chemical study of the catalytic oxidative coupling of methane

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

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

ENVIRONMENTAL SCIENCE & TECHNOLOGY, vol.31, no.5, pp.1372-1381, 1997 (SCI-Expanded) 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 (SCI-Expanded) Sustainable Development identifier