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Author:

Santos, Alyssa

Title:

An Exploration of Potential Energy Surfaces with an Application in N-Heterocyclic Carbenes on Metal Nanoparticles

Graduate Program:

Chemistry (PHD)

Keywords:

Potential Energy Surface
Geometry Optimization
Density Functional Theory
N-heterocyclic Carbenes
Metal Nanoparticles
Sigma Donation
Pi Backbonding
Graduate Education

File:

Download Alyssa_Santos_Dissertation.pdf

Committee Members:

Gerald Knizia, Chair & Dissertation Advisor
Lasse Jensen, Major Field Member
Susan Sinnott, Major Field Member
Adri van Duin, Outside Unit & Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Koehler, Stephen

Title:

Rational Design and Synthesis of Sequence Defined Donor-Acceptor Poly(arylenevinylene)s as Singlet Fission Materials

Graduate Program:

Chemistry (PHD)

Keywords:

Conjugated Polymers
Singlet Fission
Ring-Opening Metathesis Polymerization
Density Functional Theory
Molecular Switches

File:

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Committee Members:

Enrique Gomez, Outside Unit & Field Member
Elizabeth Elacqua, Chair & Dissertation Advisor
John Asbury, Major Field Member
Michael Hickner, Major Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Chen, Ran

Title:

Understanding Surface-enhanced Raman Scattering Using a Raman Bond Model

Graduate Program:

Chemistry (PHD)

Keywords:

Surface-enhanced Raman Scattering
Plasmonics
Raman Bond Model
Electronic Structure Methods
Density Functional Theory

File:

Download RanChen-PSUThesis.pdf

Committee Members:

Benjamin Lear, Major Field Member
William Noid, Major Field Member
Lasse Jensen, Chair & Dissertation Advisor
Michael Janik, Outside Unit & Field Member
Philip Bevilacqua, Program Head/Chair