Matrix elements in configuration interaction calculations
- Fukashi Sasaki
- 2004
- International Journal of Quantum Chemistry
Paper
Publications
26925 results for Science
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
PaperHierarchy equations for reduced density matrices in different representations
- Leon Cohen
- 2004
- International Journal of Quantum Chemistry
PaperStudy of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies
- Enrico Clementi
- Anne Routh
- 2004
- International Journal of Quantum Chemistry
PaperA strategic plan for molecular electronics
- Ari Aviram
- 2004
- International Journal of Quantum Chemistry
PaperThermal unimolecular isomerization of 1,4‐dimethylbicyclo[2.2.0]hexane, 1,4‐dimethylbicyclo[2.1.1]hexane, and 1,4‐dimethylbicyclo[2.1.0]pentane
- R. Srinivasan
- 2004
- International Journal of Chemical Kinetics
PaperCorrelation hole and physical properties: A model calculation
- Leon Cohen
- Chongmoon Lee
- 2004
- International Journal of Quantum Chemistry
PaperSinglet–triplet splittings as obtained from the Xα‐scattered wave method: A theoretical analysis
- P.S. Bagus
- B.I. Bennett
- 2004
- International Journal of Quantum Chemistry
PaperFlash photolysis study of the recombination of chlorine atoms in the presence of various inert gases and NO
- H. Hippler
- J. Troe
- 2004
- International Journal of Chemical Kinetics
PaperDomain-driven software development - A world of transformations
- Shane Sendall
- 2004
- RSP 2004
Conference paper