Local Density Functional Theory of Surfaces and Molecules
Author:
Affiliation:
1. Cray Research, Inc., 1333 Northland Drive, Mendota Heights, MN 55120
2. Department of Physics and Astronomy, Northwestern University, Evanston, IL 60201
3. RCA Laboratories, Badenerstrasse 569, CH-8048 Zurich, Switzerland
Publisher
American Chemical Society
Link
https://pubs.acs.org/doi/pdf/10.1021/bk-1987-0353.ch004
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3. The 1994 Alcan Award Lecture Density functional theory as a practical tool in studies of organometallic energetics and kinetics. Beating the heavy metal blues with DFT;Canadian Journal of Chemistry;1995-06-01
4. Nature of the highest occupied molecular orbitals oftrans- andcis-bicyclo[4.1.0]hept-3-enes;Journal of Physical Organic Chemistry;1995-03
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