Found 10 results
Filters: Author is Nicholas C. Handy [Clear All Filters]
Learnings from Exchange-Correlation Potentials. Chemical Physics Letters. 290:465.. 1998.
Exchange-Correlation Functionals from Ab Initio Electron Densities. Chemical Physics Letters. 273:183.. 1997.
A Study of the Ground Electronic State of the Isomers of CHNO. Molecular Physics. 78:319-343.. 1993.
Anharmonic vibrational properties of CH2F2: A comparison of theory & experiment. Journal of Chemical Physics. 95:8323.. 1991.
SPECTRO - a program for derivation of spectroscopic constants from provided quartic force fields and cubic dipole fields. Advances in Molecular Vibrations and Collision Dynamics. :169-185.. 1991.
Theoretical Assignment of the Visible Spectrum of Singlet Methylene. Journal of Chemical Physics. 94:118.. 1991.
Vibration- Rotation Coordinates and Kinetic Energy Operators for Polyatomic Molecules. Molecular Physics. 73:1183-1208.. 1991.
Ab Initio Prediction of Fundamental, Overtone, and Combination Band Infrared Intensities. Chemical Physics Letters. 169:127.. 1990.
Anharmonic Corrections to Vibrational Transition Intensities. Journal of Physical Chemistry. 94:5608.. 1990.
The Prediction of Spectroscopic Properties from Quartic Correlated Force Fields: HCCF, HFCO, and SiH3+. Journal of Chemical Physics. 93:4965.. 1990.