An Intermediate Neglect of Differential Overlap Technique for Spectroscopy of Transition-Metal Complexes. Ferrocene
- Michael C. Zerner
- Gilda H. Loew
- et al.
- 2002
- JACS
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12 results for Gilda H. Loew
Ab Initio SCF Studies of Interactions of Li+, Na+, Be2+, and Mg2+ with H2PO4−: Model for Cation Binding to Nucleic Acids
- Peter Liebmann
- Gilda Loew
- et al.
- 2002
- JACS
Theoretical Investigations of the Anaerobic Reduction of Halogenated Alkanes by Cytochrome P450. 1. Structures, Inversion Barriers, and Heats of Formation of Halomethyl Radicals
- Brian T. Luke
- Gilda H. Loew
- et al.
- 2002
- JACS
Theoretical investigation of the anaerobic reduction of halogenated alkanes by cytochrome P-450. 2. Vertical electron affinities of chlorofluoromethanes as a measure of their activity
- Brian T. Luke
- Gilda H. Loew
- et al.
- 2002
- JACS
Theoretical Investigations of Terminal Alkenes as Putative Suicide Substrates of Cytochrome P-450
- Brian T. Luke
- Jack R. Collins
- et al.
- 2002
- JACS
HNO+ and NOH+potential energy surfaces for the lowest two electronic states, including the barrier to isomerization
- A.D. McLean
- G.H. Loew
- et al.
- 2006
- Molecular Physics
A theoretical examination of substituent effects on the detoxification reaction between glutathione and halogenated methanes
- Brian T. Luke
- Gilda H. Loew
- et al.
- 2004
- International Journal of Quantum Chemistry
Theoretical Study of the Electromagnetic Properties of Bis(fulvalene)diiron in Its Three Oxidation States
- Robert F. Kirchner
- Gilda H. Loew
- et al.
- 2002
- Inorganic Chemistry
Electronic Spectra and Structure of Bis(ethylene-1,2-dithiolato)nickel and Bis(propene-3-thione-1-thiolato)nickel
- Zelek S. Herman
- Robert F. Kirchner
- et al.
- 2002
- Inorganic Chemistry
The barrier to linearity in the HNCO molecule
- A.D. McLean
- G.H. Loew
- et al.
- 1978
- Journal of Molecular Spectroscopy