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Author:

O'Hare IV, Bernard Vincent

Title:

INVESTIGATIONS OF THE STATE OF WATER IN VARIOUS POROUS MEDIA WITH NUCLEAR MAGNETIC RESONANCE RELAXATION

Graduate Program:

Chemistry

Keywords:

NMR
SOLID STATE NMR
RELAXATION
QUADRUPOLAR
DEUTERIUM
SIMULATIONS
CEMENT
ZEOLITE
KANEMITE

File:

Download bvobest20090110new.pdf

Committee Members:

Alan James Benesi, Dissertation Advisor/Co-Advisor
Alan James Benesi, Committee Chair/Co-Chair
Karl Todd Mueller, Committee Member
James Bernhard Anderson, Committee Member
Michael Grutzeck, Committee Member

Author:

Grove , David Earl

Title:

ARC DISCHARGE SYNTHESIS AND MORPHOLOGY CONTROL OF EARLY TRANSITION METAL CARBIDE NANOPATICLES

Graduate Program:

Chemistry

Keywords:

Early Transition Metal Carbides
Arc Discharge
Nano Paricle Morphology Control

File:

Download Master1d.pdf

Committee Members:

Will Castleman, Dissertation Advisor/Co-Advisor
Albert Welford Castleman Jr., Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
John V Badding, Committee Member
James Hansell Adair, Committee Member

Author:

Chakravorty, Dhruva Kumar

Title:

HYBRID QUANTUM/CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF HYDROGEN TRANSFER REACTIONS IN ENZYMES

Graduate Program:

Chemistry

Keywords:

DLPROTEIN
EVB
DHFR
ketosteroid isomerase
KSI
WHAM
Umbrella Integration
hydrogen transfer

File:

Download thesis15-1.pdf

Committee Members:

Prof Sharon Hammes Schiffer, Dissertation Advisor/Co-Advisor
Prof Sharon Hammes Schiffer, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Philip C. Bevilacqua, Committee Member
James David Kubicki, Committee Member

Author:

Hydutsky, Darren Paul

Title:

ULTRAFAST DYNAMICS OF SOLVATION AND ISOTOPE EFFECTS IN DISSOCIATIVE PROCESSES

Graduate Program:

Chemistry

Keywords:

pump-probe
hydrogen iodide
sulfur dioxide
biradical
cluster solvation
photochmical dissociation
isotope effects

File:

Download Total_17_April_2007B.pdf

Committee Members:

Albert Welford Castleman Jr., Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Karl Todd Mueller, Committee Member
Dennis Lamb, Committee Member

Author:

Justes, Dina Rodal

Title:

Reactions of Group V Metal Oxide Cluster Ions: Insight Into Heterogeneous Catalytic Mechanisms

Graduate Program:

Chemistry

Keywords:

ion molecule reactions
catalytic mechanisms
mass spectrometry
gas phase
clusters
quadrupole

File:

Download Thesis.pdf

Committee Members:

Albert Welford Castleman Jr., Committee Chair/Co-Chair
Dr A D Jones, Committee Member
James Bernhard Anderson, Committee Member
Robert John Santoro, Committee Member

Author:

Goken, Erin Gabrielle

Title:

The role of small organic molecules in atmospheric chemistry and particle formation

Graduate Program:

Chemistry

Keywords:

water
clusters
atmospheric chemistry
formic acid

File:

Download The_role_of_small_organic_molecules_in_atmospheric_chemistry_and_particle_formation.pdf

Committee Members:

Albert Welford Castleman Jr., Dissertation Advisor/Co-Advisor
Albert Welford Castleman Jr., Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
John V Badding, Committee Member
James Hansell Adair, Committee Member

Author:

Leibner, Evan Scott

Title:

Jet Blown PTFE for Control of Biocompatibility

Graduate Program:

Chemistry

Keywords:

Hemocompatible
Polytetrafluoroethylene
Jet Blowing
Potein Adsorption

File:

Download Leibner_thesis.pdf

Committee Members:

John V Badding, Dissertation Advisor/Co-Advisor
John V Badding, Committee Chair/Co-Chair
Michael Pishko, Committee Member
Erwin A Vogler, Committee Member
James Bernhard Anderson, Committee Member
Paul Wencil Brown, Committee Member

Author:

Calkins, Jacob Andrew

Title:

FUNCTIONALIZED BIOINSPIRED MICROSTRUCTURED OPTICAL FIBER PORES FOR APPLICATIONS IN CHEMICAL VAPOR SENSING

Graduate Program:

Chemistry

Keywords:

Light Scattering
Microstructured Optical Fibers
SERS
Waveguide Raman
Self-assembled Monolayers

File:

Download Calkins_dissertation_final_2011.pdf

Committee Members:

John V Badding, Dissertation Advisor/Co-Advisor
John V Badding, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Christine Dolan Keating, Committee Member
Venkatraman Gopalan, Committee Member

Author:

Skone, Jonathan H

Title:

QUANTUM MECHANICAL METHODS FOR CALCULATING PROTON TUNNELING SPLITTINGS AND PROTON-COUPLED ELECTRON TRANSFER VIBRONIC COUPLINGS

Graduate Program:

Chemistry

Keywords:

electronically nonadiabatic
nonorthogonal configuration interaction
tunneling splitting
proton-coupled electron transfer
vibronic coupling
kinetic isotope effect
semiclassical method
proton transfer

File:

Download jhskone-dissertation.pdf

Committee Members:

Sharon Hammes Schiffer, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Mark Maroncelli, Committee Member
Kristen Ann Fichthorn, Committee Member

Author:

Sobhy, Mohamed Abdelmaboud

Title:

PHOTOELECTRON IMAGING OF METAL CLUSTERS AND THEORETICAL STUDIES OF METALLOCARBOHEDRYNES

Graduate Program:

Chemistry

Keywords:

metallocarbohedrynes
photoelectron spectroscopy
photoelectron imaging
cluster anions

File:

Download Sobhy-thesis.pdf

Committee Members:

Albert Welford Castleman Jr., Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Thomas E Mallouk, Committee Member
Robert John Santoro, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Stagliano, Michael C.

Title:

Strategies for Lipid Identification, Profiling, and Quantification using Mass Spectrometry

Graduate Program:

Chemistry

Keywords:

Lipid Fragmentation
Mass Spectrometry
Lipid Discovery

File:

Download Dissertation_final_MCS.pdf

Committee Members:

Mark Maroncelli, Dissertation Advisor/Co-Advisor
Mark Maroncelli, Committee Chair/Co-Chair
Alan James Benesi, Committee Member
James Bernhard Anderson, Committee Member
Douglas D Archibald, Committee Member
A Daniel Jones, Committee Member

Author:

Wilson, Matthew Clifford

Title:

INVESTIGATIONS IN QUANTUM MONTE CARLO

Graduate Program:

Chemistry

Keywords:

helium cluster
quantum Monte Carlo
C10

File:

Download Thesis.pdf

Committee Members:

James Bernhard Anderson, Committee Chair/Co-Chair
Mark Maroncelli, Committee Member
John V Badding, Committee Member
Jainendra Jain, Committee Member

Author:

Ludlow, Michelle Kathryn

Title:

PROTON–COUPLED ELECTRON TRANSFER REACTIONS: THEORETICAL INSIGHT INTO EXPERIMENTAL RESULTS

Graduate Program:

Chemistry

Keywords:

PCET
vibronic coupling
KIE
quinol oxidation
phenoxyl/phenol
Tafel plot

File:

Download Ludlow_Thesis.pdf

Committee Members:

Sharon Hammes Schiffer, Dissertation Advisor/Co-Advisor
Sharon Hammes Schiffer, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Carsten Krebs, Committee Member
Vincent Henry Crespi, Committee Member

Author:

Reilly, Nelly Moore

Title:

FUNDAMENTAL STUDY OF NOBLE METAL AND TRANSITION METAL OXIDE CLUSTERS IN THE PRESENCE OF CO: INSIGHT INTO MECHANISMS OF HETEROGENEOUS CATALYSIS

Graduate Program:

Chemistry

Keywords:

CO oxidation
catalysis
gold oxide
gas-phase

File:

Download thesis_submit.pdf

Committee Members:

Albert Welford Castleman Jr., Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Nicholas Winograd, Committee Member
Robert John Santoro, Committee Member

Author:

O'Connor, Patrick Dennis

Title:

Direct numerical investigation of detonation waves using a Monte Carlo method

Graduate Program:

Chemistry

Keywords:

DSMC
Monte Carlo
detonation

File:

Download pdo-dissertation.pdf

Committee Members:

James Bernhard Anderson, Committee Chair/Co-Chair
Lyle Norman Long, Committee Member
Albert Welford Castleman Jr., Committee Member
Mark Maroncelli, Committee Member

Author:

Sayres, Scott Grayson

Title:

The strong-field ionization mechanisms of molecules and clusters

Graduate Program:

Chemistry

Keywords:

high charge states
mass spectrometry
Coulomb explosion
strong-field ionization
multiphoton ionization

File:

Download Scott_Sayres_Final_Thesis.pdf

Committee Members:

Albert Welford Castleman Jr., Dissertation Advisor/Co-Advisor
Albert Welford Castleman Jr., Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Nicholas Winograd, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Edwards, Sarah J

Title:

Impact of mutation on the proton-coupled electron transfer reaction catalyzed by soybean lipoxygenase

Graduate Program:

Chemistry

Keywords:

soybean lipoxygenase
proton-coupled electron transfer
kinetic isotope effects
driving foce dependence
rate constant expressions
mutant enzymes

File:

Download Thesis-2010.07.29.00.pdf

Committee Members:

Sharon Hammes Schiffer, Dissertation Advisor/Co-Advisor
Sharon Hammes Schiffer, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Albert Welford Castleman Jr., Committee Member
John H Golbeck, Committee Member

Author:

Liang, Min

Title:

Solvation and electron transfer in ionic liquids

Graduate Program:

Chemistry

Keywords:

Solvation dynamics
ionic liquids
bimolecular electron transfer

File:

Download Min_Liang_final_dissertation.pdf

Committee Members:

Mark Maroncelli, Dissertation Advisor/Co-Advisor
Mark Maroncelli, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
John B Asbury, Committee Member
John H Golbeck, Committee Member

Author:

Ross, Matthew W

Title:

Strong-field Ionization Leading To Coulomb Explosion of Small Clusters

Graduate Program:

Chemistry

Keywords:

strong-field
clusters
coulomb explosion
ionization enhancement
ultrafast laser
superatom

File:

Download 1-ross_dissertation.pdf

Committee Members:

Albert Welford Castleman Jr., Dissertation Advisor/Co-Advisor
James Bernhard Anderson, Committee Member
William George Noid, Committee Member
Robert John Santoro, Committee Member

Author:

Nangia, Shivangi

Title:

Monte Carlo simulations of enzyme catalyzed single and multistep reactions

Graduate Program:

Chemistry

Keywords:

Monte Carlo
enzyme catalyzed reactions
activation energy
temperature
diffusion
colocalization

File:

Download Shivangi_Nangia_dissertation_final.pdf

Committee Members:

James Bernhard Anderson, Dissertation Advisor/Co-Advisor
Mark Maroncelli, Committee Member
Lasse Jensen, Committee Member
Adrianus C Van Duin, Committee Member