| 2003 |
|---|
| 4 | EE | H. Bernhard Schlegel:
Exploring potential energy surfaces for chemical reactions: An overview of some practical methods.
Journal of Computational Chemistry 24(12): 1514-1527 (2003) |
| 3 | EE | Thom Vreven,
Keiji Morokuma,
Ödön Farkas,
H. Bernhard Schlegel,
Michael J. Frisch:
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.
Journal of Computational Chemistry 24(6): 760-769 (2003) |
| 1998 |
|---|
| 2 | EE | Anwar G. Baboul,
H. Bernhard Schlegel,
Mikhail N. Glukhovtsev,
Robert D. Bach:
Computational study on nature of transition structure for oxygen transfer from dioxirane and carbonyloxide.
Journal of Computational Chemistry 19(12): 1353-1369 (1998) |
| 1996 |
|---|
| 1 | EE | Chunyang Peng,
Philippe Y. Ayala,
H. Bernhard Schlegel,
Michael J. Frisch:
Using redundant internal coordinates to optimize equilibrium geometries and transition states.
Journal of Computational Chemistry 17(1): 49-56 (1996) |
