SCF ab-initio ground state energy surfaces for CO2 and CO 2
- J. Pacansky
- U. Wahlgren
- et al.
- 2008
- 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.
Date
Featured collections
Popular topics
954 results at The Journal of Chemical Physics
Nonadiabatic effects in the collision of F(2P) with H 2(1Σg+). I. SCF interaction potentials for the 11A′, 22A′, and 2A″ states in the reactant region
- Frank Rebentrost
- William A. Lester Jr.
- 2008
- The Journal of Chemical Physics
Studies of excited state charge-transfer interactions with picosecond laser pulses
- T.J. Chuang
- K.B. Eisenthal
- 2008
- The Journal of Chemical Physics
Study of the structure of molecular complexes. XII. Structure of liquid water obtained by Monte Carlo simulation with the Hartree-Fock potential corrected by inclusion of dispersion forces
- G.C. Lie
- E. Clementi
- 2008
- The Journal of Chemical Physics
Effect of surface Plasmons on transitions in molecules
- Michael R. Philpott
- 2008
- The Journal of Chemical Physics
Reflection spectrum of the first singlet transition of crystalline anthracene at low temperatures
- J.M. Turlet
- M.R. Philpott
- 2008
- The Journal of Chemical Physics
Ambiguities in the interpretation of proton magnetic relaxation data in water solutions of Gd3+ ions
- Seymour H. Koenig
- Michael Epstein
- 2008
- The Journal of Chemical Physics
A theory of the hard sphere solid
- J.A. Barker
- 2008
- The Journal of Chemical Physics
Ornstein-Zernike equation for the direct correlation function with a Yukawa tail
- Douglas Henderson
- George Stell
- et al.
- 2008
- The Journal of Chemical Physics
A theory of the hard sphere solid. II
- J.A. Barker
- H.M. Gladney
- 2008
- The Journal of Chemical Physics