Theses most similar to A configuration interaction study of the electronic states of the water molecule (Merrifield, Donald Paul; 1962) read it
- Advisor: F. Albert Cotton
- Department of Chemistry
Exploring kinetics and thermodynamics in fast-ion conductors and hydrogen-storage materials using ab-initio molecular dynamics
Wood, Brandon C. (Brandon Christopher) (2007)
- Advisor: Nicola Marzari
- Department of Materials Science and Engineering
Computational studies of hydrogen storage materials and the development of related methods
Mueller, Timothy Keith (2007)
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering
- Advisor: Stephen J. Lippard
- Department of Chemistry
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: Francis Bitter
- Department of Geology and Geophysics
Electronic structures of iron and manganese oxides with applications to their mineralogy
Sherman, David Michael (1984)
- Advisor: Roger G. Burns
- Department of Earth, Atmospheric, and Planetary Sciences
Quantum mechanical studies of Heisenberg antiferromagnetic spin chains
Bruno, Juan Diderot, 1970- (1999)
- Advisor: Robert J. Silbey
- Department of Chemistry
Hydrogen bonding in aqueous solution and peptide helicity studied using model systems
Powers, Evan T. (Evan Thomas), 1970- (1999)
- Advisor: Daniel S. Kemp
- Department of Chemistry