Theses most similar to those of author Kaduk, Benjamin James
Constrained Density-Functional Theory--Configuration Interaction (2012) read it
New perspectives on ab initio calculation and physical insights gained through linkage to continuum theories
Ismail-Beigi, Sohrab, 1971- (2000)
- Advisors: John D. Joannopoulos; Tomás A. Arias
- Department of Physics
Quantum chemistry for spectroscopy : a tale of three spins (S = 0, 1/2, and 1)
Wong, Bryan Matthew, 1979- (2007)
- Advisor: Robert W. Field
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First-principles transition-metal catalysis : efficient and accurate approaches for studying enzymatic systems
Kulik, Heather J (2009)
- Advisor: Nicola Marzari
- Department of Materials Science and Engineering
- Advisor: Nicola Marzari
- Department of Materials Science and Engineering
Theoretical investigation of solar energy conversion and water oxidation catalysis
Wang, Lee-Ping (2011)
- Advisor: Troy Van Voorhis
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Theoretical advances toward understanding recent experiments in biophysical chemistry
Zimanyi, Eric Norman (2012)
- Advisors: Jianshu Cao; Robert J. Silbey
- Department of Chemistry
Excited states and electron transfer in solution : models based on density functional theory
Kowalczyk, Timothy Daniel (2012)
- Advisor: Troy Van Voorhis
- Department of Chemistry
Electron transfer in solution : nonadiabatic dynamics and applications to catalysis
Mavros, Michael G. (Michael George) (2016)
- Advisor: Troy Van Voorhis
- Department of Chemistry
- Advisor: Jeffrey C. Grossman
- Department of Materials Science and Engineering
Niobium-mediated generation of P-P multiply bonded intermediates
Piro, Nicholas A. (Nicholas Anthony) (2009)
- Advisor: Christopher C. Cummings
- Department of Chemistry