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Start Over Year 2016 Committee Member Adrianus C Van Duin Keyword DFT

1. INTERPRETING THE SPECTRAL SIGNATURES OF SURFACE-ENHANCED RAMAN SCATTERING

open_access
Open Access
Author:
Chulhai, Dhabih Vishaal
Title:
INTERPRETING THE SPECTRAL SIGNATURES OF SURFACE-ENHANCED RAMAN SCATTERING
Graduate Program:
Chemistry
Keywords:
Spectroscopy
Surface Enhancement
Raman
SERS
Field Gradients
Plasmon
Nanoparticles
TERS
DFT
Subsystem DFT
Frozen Density Embedding
TDDFT
Density Functional Theory
File:
Download DhabihChulhai-PSUThesis.pdf
Committee Members:
Lasse Jensen, Dissertation Advisor/Co-Advisor
Lasse Jensen, Committee Chair/Co-Chair
Miriam Arak Freedman, Committee Member
William George Noid, Committee Member
Adrianus C Van Duin, Outside Member

2. Multi-scale Atomistic Modeling for Electrocatalytic Applications

open_access
Open Access
Author:
Akhade, Sneha Anil
Title:
Multi-scale Atomistic Modeling for Electrocatalytic Applications
Graduate Program:
Chemical Engineering
Keywords:
electrocatalysis
DFT
ReaxFF
carbon dioxide electroreduction
electrokinetics
File:
Download Sneha_Akhade_PhDdissertation_final.pdf
Committee Members:
Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Phillip E Savage, Committee Member
Scott Thomas Milner, Committee Member
Adrianus C Van Duin, Outside Member
Janna Kay Maranas, Dissertation Advisor/Co-Advisor