Joachim Schaefer, William A. Lester Jr.
The Journal of Chemical Physics
A new H3 potential energy hypersurface for arbitrary nuclear arrangements is generated from Liu's very accurate (≈0.3 kcal/mole error) collinear ab initio calculation and compared with other general geometry surfaces. Preliminary classical trajectory calculations on the new hypersurface are presented and compared with results on the Porter-Karplus surface. © 1974.
Joachim Schaefer, William A. Lester Jr.
The Journal of Chemical Physics
Robert E. Howard, Albert C. Yates, et al.
The Journal of Chemical Physics
Joachim Schaefer, William A. Lester Jr., et al.
Chemical Physics Letters
Peter J. Reynolds, Michel Dupuis, et al.
The Journal of Chemical Physics