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
Publications
954 results at The Journal of Chemical Physics
The capacitance for a single crystal face of an fcc metal/electrolyte interface
- Douglas Henderson
- Wolfgang Schmickler
- 1985
- The Journal of Chemical Physics
The interphase between jellium and a hard sphere electrolyte: Capacity-charge characteristics and dipole potentials
- Wolfgang Schmickler
- Douglas Henderson
- 1985
- The Journal of Chemical Physics
Electron spin echo envelope modulation (ESEEM) caused by 14N and 2D hyperfine interactions in the triplet state of acridine at room temperature
- H. Seidel
- M. Mehring
- et al.
- 1985
- The Journal of Chemical Physics
Mean-square optical anisotropies and molar Kerr constants of cyclic and linear dimethyl siloxanes
- Stephen J. Mumby
- Martin S. Beevers
- 1985
- The Journal of Chemical Physics
Organic 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
Reactions 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
Theory of nematic systems of semiflexible polymers. III. Phase equilibria in solutions
- G. Ronca
- D.Y. Yoon
- 1985
- The Journal of Chemical Physics
Classical trajectory study of vibration-rotation interaction in highly excited triatomic molecules
- John H. Frederick
- Gary M. McClelland
- et al.
- 1985
- The Journal of Chemical Physics
A theoretical investigation of the UV spectrum of ethyl radical
- M.R.A. Blomberg
- B. Liu
- 1985
- The Journal of Chemical Physics