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Start Over Committee Member James David Kubicki Keyword DFT

1. PHOTOINDUCED ACTIVATION OF CO2 ON TiO2 SURFACES: QUANTUM CHEMICAL MODELING OF GROUND AND EXCITED STATES, AND IN SITU EPR STUDIES

open_access
Open Access
Author:
Indrakanti, Venkata Pradeep
Title:
PHOTOINDUCED ACTIVATION OF CO2 ON TiO2 SURFACES: QUANTUM CHEMICAL MODELING OF GROUND AND EXCITED STATES, AND IN SITU EPR STUDIES
Graduate Program:
Energy and Geo-Environmental Engineering
Keywords:
quantum calculations
DFT
CO2 activation
photocatalytic reduction of CO2
anatase
TiO2
CO2 utilization
File:
Download Pradeep_Thesis_Vita.pdf
Committee Members:
Harold Harris Schobert, Dissertation Advisor/Co-Advisor
Harold Harris Schobert, Committee Chair/Co-Chair
James David Kubicki, Committee Chair/Co-Chair
Chunshan Song, Committee Member
Kwadwo Osseo Asare, Committee Member
Adrianus C Van Duin, Committee Member

2. Application of density functional theory calculations to elucidate the structure of lignin linkages and the intermolecular interactions among proxies of lignin, hemicellulose, and cellulose

open_access
Open Access
Author:
Watts, Heath Donald
Title:
Application of density functional theory calculations to elucidate the structure of lignin linkages and the intermolecular interactions among proxies of lignin, hemicellulose, and cellulose
Graduate Program:
Geosciences
Keywords:
lignin
DFT
density functional theory
GIAO
NMR
coniferyl alcohol
biofuels
File:
Download HWatts_dissertation_complete.pdf
Committee Members:
James David Kubicki, Dissertation Advisor/Co-Advisor
Katherine Haines Freeman, Committee Member
Jennifer Macalady, Committee Member
Ming Tien, Committee Member