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
Date
Featured collections
Popular topics
34 results for Byron H. Lengsfield III
Ab initio assignment of the UV spectra of the ethyl, isopropyl, and t-butyl radicals
- B.H. Lengsfield III
- P. Siegbahn
- et al.
- 1984
- The Journal of Chemical Physics
The binding energy of the ground state of Be2
- B.H. Lengsfield III
- A.D. McLean
- et al.
- 1983
- The Journal of Chemical Physics
Theoretical study of the AlO blue-green (B2∑+-X2∑+ band system
- H. Partridge
- Stephen R. Langhoff
- et al.
- 1983
- Journal of Quantitative Spectroscopy and Radiative Transfer
Formaldehyde: Ab initio MCSCF+Cl transition state for H2CO→ CO+H2 on the S0 surface
- M. Dupuis
- W.A. Lester Jr.
- et al.
- 1983
- The Journal of Chemical Physics
Theoretical study of NH2: Potential curves, transition moments, and photodissociation cross sections
- Roberta P. Saxon
- Byron H. Lengsfield III
- et al.
- 1982
- The Journal of Chemical Physics
The dissociation energy of MgO
- Charles W. Bauschlicher Jr.
- Byron H. Lengsfield III
- et al.
- 1982
- The Journal of Chemical Physics
Ab initio dipole moment functions for the X 2Σ+ and B 2Σ+ states of AlO
- B.H. Lengsfield III
- B. Liu
- 1982
- The Journal of Chemical Physics
General second-order MCSCF theory for large Cl expansions
- B.H. Lengsfield III
- 1982
- The Journal of Chemical Physics
Half-projected Hartree-Fock calculations on several small molecules
- Byron H. Lengsfield III
- Donald H. Phillips
- et al.
- 1981
- The Journal of Chemical Physics