Ab Initio SCF Computations on Benzene and the Benzenium Ion Using a Large Contracted Gaussian Basis Set
- Walter C. Ermler
- Robert S. Mulliken
- et al.
- 2002
- JACS
Paper
Publications
378 results at JACS
Molecular Sequence Effect on the 13C Carbonyl Chemical Shift Shielding Tensor
- F. Sépanme
- R. Smith
- et al.
- 2002
- JACS
PaperStructure and Energetics of Simple Carbenes CH2, CHF, CHCl, CHBr, CF2, and CCl2
- Charles W. Bauschlicher
- Henry F. Schaefer
- et al.
- 2002
- JACS
PaperThe Crystal Chemistry of Organic Metals. Composition, Structure, and Stability in the Tetrathiafulvalinium-Halide Systems
- B.A. Scott
- S.J.La Placa
- et al.
- 2002
- JACS
PaperCarbon-13 Relaxation Study of Stereoregular Poly(methyl methacrylate) in Solution
- J.R. Lyerla
- T.T. Horikawa
- et al.
- 2002
- JACS
PaperThe Electronic Structure of 1,3-Dithiole-2-thione and Its Selenium Analogues. Photoelectron Spectra and Polarized Electronic Absorption Spectra
- Jens Spanget-Larsen
- Rolf Gleiter
- et al.
- 2002
- JACS
PaperH/D Exchange in Electrolytic Reduction Reactions of Phenyl Ketones
- A. Diaz
- Y.Y. Cheng
- et al.
- 2002
- JACS
PaperOrganic Alloys: Synthesis and Properties of Solid Solutions of Tetraselenafulvalene-Tetracyano-p-quinodimethane (TSeF-TCNQ) and Tetrathiafulvalene-Tetracyano-p-quinodimethane (TTF-TCNQ)
- E.M. Engler
- B.A. Scott
- et al.
- 2002
- JACS
PaperImplementation of Nonadditive Intermolecular Potentials by Use of Molecular Dynamics: Development of a Water-Water Potential and Water-Ion Cluster Interactions
- James Caldwell
- Peter A. Kollman
- et al.
- 2002
- JACS
PaperHigh-Resolution 13C Nuclear Magnetic Resonance Spectra of Frozen Liquids Using Magic Angle Spinning
- C.A. Fyfe
- J.R. Lyerla
- et al.
- 2002
- JACS
Paper