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Author:

Veenis, Andrew

Title:

Towards a Better Understanding of the Influence of Noncovalent Interactions on RNA Catalysis and the Properties of RNA Moieties

Graduate Program:

Chemistry (PHD)

Keywords:

RNA
Ribozyme
pKa
Cheminformatics
Bioinformatics
Molecular Dynamics

File:

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Committee Members:

Lasse Jensen, Major Field Member
Song Tan, Outside Unit & Field Member
Joseph Cotruvo, Major Field Member
Philip Bevilacqua, Chair & Dissertation Advisor
Philip Bevilacqua, Program Head/Chair

Author:

Tanygin, Vivian Sergei

Title:

Surface Chemistry of Transition Metal Nanoparticles

Graduate Program:

Chemistry (PHD)

Keywords:

nanoparticles
xps
epr
chalcogen
noble metal
nanomaterials
inorganic
electronic properties
esr
morphology
surface chemistry
nmr

File:

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Committee Members:

Benjamin Lear, Chair & Major Field Represnt
Lasse Jensen, Committee Member & Major Field Represnt
Raymond Schaak, Committee Member & Major Field Represnt
John Golbeck, Committee Member & Related Areas Repres
Philip Bevilacqua, Program Head/Chair
Benjamin James Lear, Dissertation Advisor

Author:

Szukalo, Ryan

Title:

Predictive and Thermodynamically Transferable Coarse-Grained Models

Graduate Program:

Chemistry (PHD)

Keywords:

coarse-graining
transferability
representability
local density

File:

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Committee Members:

William Noid, Chair & Dissertation Advisor
Lasse Jensen, Major Field Member
Susan Sinnott, Outside Unit & Field Member
John Asbury, Major Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Chaudhry, Imran

Title:

Using Delta-Machine Learning to Accurately Predict Molecular Polarizabilites

Graduate Program:

Chemistry (MS)

Keywords:

Raman Spectroscopy
Electronic Structure Theory
Machine Learning
Chemistry

File:

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Committee Members:

Lasse Jensen, Thesis Advisor/Co-Advisor
Edward Patrick O'Brien, Jr., Committee Member
Philip Bevilacqua, Program Head/Chair
Benjamin James Lear, Committee Member
Sharon Xiaolei Huang, Committee Member

Author:

Yuan, Zhenghao

Title:

Generation and Detection of Resonant High Harmonic Generation in Few-Layer Molybdenum Disulfide

Graduate Program:

Chemistry (MS)

Keywords:

High Harmonic Generation
Molybdenum Disulfide
Solid State

File:

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Committee Members:

Kenneth Luther Knappenberger, Jr., Thesis Advisor/Co-Advisor
John B Asbury, Committee Member
Philip Bevilacqua, Program Head/Chair
Lasse Jensen, Committee Member

Author:

Steves, Megan

Title:

Elucidating the Interplay of Optical Function and Structure in Nanomaterials with Nonlinear Optical Microscopy

Graduate Program:

Chemistry (PHD)

Keywords:

2D materials
nonlinear optics
ultrafast spectroscopy
2d metals
transition metal dichalcogenides
second harmonic generation
microscopy

File:

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Committee Members:

Mauricio Terrones, Outside Unit & Field Member
Lasse Jensen, Major Field Member
Kenneth Knappenberger, Chair & Dissertation Advisor
John Asbury, Major Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Bronson, Mark

Title:

Improving the Accuracy and Efficiency of Atomistic Electrodynamics Models for the Simulation of Large Plasmonic Nanoparticles

Graduate Program:

Chemistry (PHD)

Keywords:

chemistry
electrodynamics
DFT

File:

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Committee Members:

Mauricio Terrones, Major Field Member
Kristen Fichthorn, Outside Unit & Field Member
Lasse Jensen, Chair & Dissertation Advisor
Edward O'Brien, Major Field Member
Philip Bevilacqua, Program Head/Chair