7Σ+ and7∏ states of manganese hydride
- Paul S. Bagus
- Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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954 results at The Journal of Chemical Physics
Theory and Monte Carlo simulation of physical clusters in the imperfect vapor
- K. Lee
- J.A. Barker
- et al.
- 2003
- The Journal of Chemical Physics
PNO-CI studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
- Wilfried Meyer
- 2003
- The Journal of Chemical Physics
Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case
- Gretchen M. Schwenzer
- Dean H. Liskow
- et al.
- 2003
- The Journal of Chemical Physics
Electronic structure of unstable intermediates. I. the electronic structure of some linear triatomic molecules containing boron
- Colin Thomson
- 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
Magnetic state of an unusual bacterial heme protein
- Martin M. Maltempo
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree Fock type density and its application to the homonuclear diatomic molecules of the second row atoms
- George C. Lie
- Enrico Clement
- 2003
- 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