Symmetry breaking in molecular calculations and the reliable prediction of equilibrium geometries. The formyloxyl radical as an example
- A.D. McLean
- B.H. Lengsfield III
- et al.
- 1985
- The Journal of Chemical Physics
Paper
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Direct-inelastic and trapping-desorption scattering of NO(v = 0, J) from Ir(111): Angular, velocity, and rotational energy distributions
- R.J. Hamers
- P.L. Houston
- et al.
- 1985
- The Journal of Chemical Physics
PaperKinetic oscillations in the catalytic CO oxidation on Pt(100): Theory
- R. Imbihl
- M.P. Cox
- et al.
- 1985
- The Journal of Chemical Physics
PaperThe structure of small metal clusters
- Charles W. Bauschlicher Jr.
- Lars G. M. Pettersson
- 1985
- The Journal of Chemical Physics
PaperReactions of O(3P) with saturated hydrocarbons: Vibrationally adiabatic distorted wave calculations of product rotational distributions for two triatomic model reactions
- D.C. Clary
- J.N.L. Connor
- et al.
- 1985
- The Journal of Chemical Physics
PaperTime-resolved detection of Cu atoms during photochemical laser metal vapor deposition
- E.E. Marinero
- C.R. Jones
- 1985
- The Journal of Chemical Physics
PaperOrganic polymers based on aromatic rings (polyparaphenylene, polypyrrole, polythiophene): Evolution of the electronic properties as a function of the torsion angle between adjacent rings
- J.L. Brédas
- G.B. Street
- et al.
- 1985
- The Journal of Chemical Physics
PaperA new analysis of charge transfer and polarization for ligand-metal bonding: Model studies of Al4CO and Al4NH3
- P.S. Bagus
- K. Hermann
- et al.
- 1984
- The Journal of Chemical Physics
PaperElectronically excited states of chemisorbed molecules
- Ph. Avouris
- N.J. Dinardo
- et al.
- 1984
- The Journal of Chemical Physics
PaperH+D2 reaction dynamics. Determination of the product state distributions at a collision energy of 1.3 eV
- Ernesto E. Marinero
- Charles T. Rettner
- et al.
- 1984
- The Journal of Chemical Physics
Paper