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Qisheng Ma
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Email: qim2@peer.caltech.edu
Education:
-Ph.D., Condensed Matter Theory,
Lehigh University
-M.S., Computational Physics,
California State University
at Long Beach
-B.S., Engineering Physics,
Tsinghua University, Beijing,
China.
Research Interests:
My principle research interest
lies in the fields of computational
quantum chemistry and molecular
modeling to apply state-of-the-art
computer simulation techniques
to obtain a fundamental understanding
of mechanism and kinetics
of chemical reactions of important
homogeneously/heterogeneously
catalytic processes and novel
material designs. My special
interests on the catalytic
processing focus on developing
fundamental views of chemical
reactions on the reaction
pathway study; transition
state location; thermodynamic
and kinetic relations; and
by-product analyses. I am
also interest in using molecular
modeling to study various
physical and chemical properties
of novel materials such as
ionic liquids and diamondoids.
Selected research projects
are as follows:
-Fundamental studies of selective
hydrocarbon conversion reactions,
such as the phenol alkylation
and methane-to-methanol conversion
reactions.
-Mechanistic understanding
of the oxidative decarboxylation
reaction and developments
of cost-effective, low-temperature
solid adsorption and catalytic
chemical processes to remove
naphthenic acids from crude
oils.
-Theoretical predictions of
physical and chemical properties
of ionic liquids and their
functionalities as novel reaction
media in selective chemical
reactions.
-Theoretical investigations
of thermal stabilities of
higher diamondoild molecules
and their potential applications
in nanotechnologies.
Selected Publications:
- "Acidity and 1-Octane/Water
Distribution Coefficients
of naphthenic Acids" Q. Ma,
A, Zhang, Y. Tang, 227th ACS
National Meeting, Anaheim,
CA; March 28 - April1 1, 2004.
- "Decarboxylation of
Naphthenic Acid Model Compounds",
A. Zhang, Q. Ma, Y. Tang,
227th ACS National Meeting,
Anaheim, CA; March 28 - April1
1, 2004.
- "Periodic Trends and
Patterns in Interactions of
First-Row Transition Metals
with the Silica Surface",
Ma, Qisheng et al. J. Phys,
Chem., B 2002 106 (39) 10121-10127
- in "Strength from Weakness:
Structure Consequences of
Weak Interactions in Molecules,
Supermolecules and Crystals"
Eds. by A. Domenicano and
I. Hargittai, NATO ASI Series,
Cheng, H; Hayes, J. M., K.;
Smead, C.; Neurock, M.; Ma,
Q.; Klier, K. 2002
- "Metal Agglomeration on
the Silica Surface", Ma, Qisheng
et al. J. Phys, Chem., B 2001
105 (38) 9230-9238 " "Low
Coverage of Co and Ni at the
Alumina Surface", Ma, Qisheng
et al. J. Phys, Chem., B 2001
105 (22) 2212-2221 "
- "Low Coverage of Co
and Ni at the Silica Surface",
Ma, Qisheng et al. J. Phys,
Chem., B 2000 104 (45) 10618-10626
- "Synthesis of Unsynnetrical
Ethers and Branched Olefins
from Alcohols over a Novel
HO3ZrO3SOCH2CH2OSO3ZrOH3
- derived Catalyst" Shen,
J. G. C; Ma. Qisheng, K. Klier,
Chem. Commun. 2001, 7, 653-654
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