Molecular properties of excited electronic states: The ã 3A″ and à 1A″ states of formaldehyde
- Barbara J. Garrison
- Henry F. Schaefer III
- et al.
- 2003
- The Journal of Chemical Physics
Publications
954 results at The Journal of Chemical Physics
Study of the theoretical dipole moment function and infrared transition matrix for the X1S+ state of the HF molecule
- George C. Lie
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. VII. Effect of correlation energy corrections to the Hartree-Fock water-water potential on Monte Carlo simulations of liquid water
- H. Kistenmacher
- H. Popkie
- et al.
- 2003
- The Journal of Chemical Physics
Magnetic state of an unusual bacterial heme protein
- Martin M. Maltempo
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. VIII. Small clusters of water molecules surrounding Li+, Na+, K+, F-, and Cl- ions
- H. Kistenmacher
- H. Popkie
- et al.
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chains
- George C. Lie
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms
- George C. Lie
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
Interatomic potentials for krypton and xenon
- J.A. Barker
- R.O. Watts
- et al.
- 2003
- The Journal of Chemical Physics
Percus-Yevick equation of state for the square-well fluid at high densities
- William R. Smith
- Douglas Henderson
- et al.
- 2003
- The Journal of Chemical Physics
Multiplescattering method based on overlapping atomic spheres with application to the TCNQ molecule
- Frank Herman
- Arthur R. Williams
- et al.
- 2003
- The Journal of Chemical Physics