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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

Author:

Kaintz, Anne Elizabeth

Title:

Translational and Rotational Diffusion in Ionic Liquids

Graduate Program:

Chemistry

Keywords:

diffusion
hydrodynamic
Inversion Recovery
ionic liquid
PFG-NMR
rotation
Stokes Einstein Debye
translation
viscosity

File:

Download Diffusion_in_Ionic_Liquids.pdf

Committee Members:

Mark Maroncelli, Dissertation Advisor/Co-Advisor
Mark Maroncelli, Committee Chair/Co-Chair
Alan James Benesi, Committee Member
David Lawrence Allara, Committee Member
John B Asbury, Committee Member
Ralph H Colby, Special Member

Author:

Conway, Brian

Title:

MOLECULAR DYNAMICS SIMULATIONS OF IONIC LIQUIDS AND IONIC LIQUID - CONVENTIONAL SOLVENT MIXTURES

Graduate Program:

Chemistry

Keywords:

molecular dynamics
ionic liquids
classical simulation
spectroscopy
chemistry
physical chemistry
mixtures
ions
diffusion
rotation
solvation dynamics

File:

Download final_thesis.pdf

Committee Members:

Mark Maroncelli, Dissertation Advisor/Co-Advisor
Mark Maroncelli, Committee Chair/Co-Chair
Lasse Jensen, Committee Member
William Noid, Committee Member
Janna Maranas, Outside Member