George Fitzgerald

Physics and Astronomy · Physical Sciences

36h-index6.5kcitations113works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(39), Spectroscopy and Quantum Chemical Studies(16), Catalysis and Oxidation Reactions(11), Catalytic Processes in Materials Science(9), Advanced Physical and Chemical Molecular Interactions(8)

Publications113 total

Agony, Exclusion and Colonial Reproduction: A Critical Examination of the Doctrine of Difference in Aotearoa New Zealand
Otago University Research Archive (University of Otago)·2020· 1 citedOpen Access
Index
Manchester University Press eBooks·2019Open Access
Multiscale modeling of nanomaterials
Elsevier eBooks·2015· 15 cited
Structure of Mo<sub>2</sub>C<sub><i>x</i></sub> and Mo<sub>4</sub>C<sub><i>x</i></sub> Molybdenum Carbide Nanoparticles and Their Anchoring Sites on ZSM-5 Zeolites
The Journal of Physical Chemistry C·2014· 106 cited
ChemInform Abstract: Combining Vibrational Spectroscopies with Quantum Chemical Calculations for Molecular‐Level Understanding of Reaction Mechanisms on Catalytic Surfaces
ChemInform·2013
Combining Vibrational Spectroscopies with Quantum Chemical Calculations for Molecular-Level Understanding of Reaction Mechanisms on Catalytic Surfaces
ACS symposium series·2013· 2 cited
Preface
ACS symposium series·2013
I - A Feather for My Shelf
Indiana Magazine of History (Indiana University)·2012Open Access
Zeolite Confined Ti(OH)4 Nanoparticles in Highly Active and Selective Oxidation Catalyst
Catalysis Letters·2011· 5 cited
Towards Continuum Modeling from Atomistic Principles
ICCES: International Conference on Computational & Experimental Engineering and Sciences·2011
Intermolecular shielding contributions studied by modeling the C13 chemical-shift tensors of organic single crystals with plane waves
The Journal of Chemical Physics·2009· 81 citedOpen Access
Birthday Guy on Azalea Path
Indiana Magazine of History (Indiana University)·2009Open Access
On the use of fractional charges for computing Fukui functions
Molecular Simulation·2008· 13 cited
Materials Modeling from Quantum Mechanics to The Mesoscale
Computer Modeling in Engineering & Sciences·2008· 5 cited
A Spectroscopic and Computational Investigation of the Vanadomolybdate Local Structure in the Lyonsite Phase Mg<sub>2.5</sub>VMoO<sub>8</sub>.
ChemInform·2007
A Spectroscopic and Computational Investigation of the Vanadomolybdate Local Structure in the Lyonsite Phase Mg<sub>2.5</sub>VMoO<sub>8</sub>
Inorganic Chemistry·2007· 8 cited
10. Computational Materials Science with Materials Studio$^{\rlap{\LARGE\(\circ\)}\,\hskip.5pt\raise3pt\hbox{\tiny\rm R}}\,$: Applications in Catalysis
Lecture notes in physics·2004· 15 cited
10 Computational Materials Science with Materials Studio : Applications in Catalysis
2004· 8 cited
A generalized synchronous transit method for transition state location
Computational Materials Science·2003· 1.3k cited
DFT study of methanol conversion to hydrocarbons in a zeolite catalyst
International Journal of Quantum Chemistry·2002· 51 cited
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Frequent Co-authors

Rodney J. Bartlett(10), Jan Andzelm(8), Chengteh Lee(7), Henry F. Schaefer(7), William D. Laidig(5), Michael M. Wick(5), Robert J. Harrison(4), Niranjan Govind(3), Jeffrey F. Gaw(3), Yoshihiro Osamura(3), Yukio Yamaguchi(3), Martin W. Feyereisen(2), Andrew Komornicki(2), Stuart B. Levy(2), Ann B. Macone(2), Mark R. Hoffmann(2), Douglas J. Fox(2), Nicholas C. Handy(2), Han Chen(2), Nobuyuki Matsuzawa(2)