Matrix elements of z/r3 and (3z2-r 2)/r5 in a slater basis for linear systems
- A.D. McLean
- M. Yoshimine
- 2004
- The Journal of Chemical Physics
Paper
Publications
88 results for A.D. Mclean
Higher polarizabilities of linear molecules
- A.D. McLean
- M. Yoshimine
- 2004
- The Journal of Chemical Physics
PaperBand strengths for electric dipole transitions from ab initio computation: Lio [formula omitted] AlO [formula omitted]
- M. Yoshimine
- A.D. McLean
- et al.
- 2003
- Journal of Chemical Physics
PaperUse of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case
- Gretchen M. Schwenzer
- Dean H. Liskow
- et al.
- 2003
- The Journal of Chemical Physics
PaperTheoretical 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
PaperElectron Correlation and Basis Set Effects on the Relative Stabilities of Classical and Nonclassical Structures of the 2-Norbornyl Cation
- M. Yoshimine
- A.D. McLean
- et al.
- 2002
- JACS
PaperCarbanion Spectroscopy: CH2CN-
- Sean Moran
- H. Benton Ellis
- et al.
- 2002
- JACS
PaperTheoretical calculations and experimental studies on the electronic structures of hydrazones and hydrazone radical cations: Formaldehyde hydrazone and benzaldehyde diphenylhydrazones
- J. Pacansky
- A.D. McLean
- et al.
- 2002
- Journal of Physical Chemistry
PaperTheoretical Investigations of Terminal Alkenes as Putative Suicide Substrates of Cytochrome P-450
- Brian T. Luke
- Jack R. Collins
- et al.
- 2002
- JACS
PaperTheoretical 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
Paper