| 2007 |
|---|
| 6 | EE | Sang-Ho Lee,
Kim Palmö,
Samuel Krimm:
A comparative study of molecular dynamics in Cartesian and in internal coordinates: Dynamical instability in the latter caused by nonlinearity of the equations of motion.
Journal of Computational Chemistry 28(6): 1107-1118 (2007) |
| 2001 |
|---|
| 5 | EE | Berit Mannfors,
Noemi G. Mirkin,
Kim Palmö,
Samuel Krimm:
A polarizable electrostatic model of the N-methylacetamide dimer.
Journal of Computational Chemistry 22(16): 1933-1943 (2001) |
| 1999 |
|---|
| 4 | EE | Sang-Ho Lee,
Kim Palmö,
Samuel Krimm:
New out-of-plane angle and bond angle internal coordinates and related potential energy functions for molecular mechanics and dynamics simulations.
Journal of Computational Chemistry 20(10): 1067-1084 (1999) |
| 1998 |
|---|
| 3 | EE | Kim Palmö,
Samuel Krimm:
Electrostatic model for infrared intensities in a spectroscopically determined molecular mechanics force field.
Journal of Computational Chemistry 19(7): 754-768 (1998) |
| 1993 |
|---|
| 2 | EE | Kim Palmö,
Lars-Olof Pietilä,
Samuel Krimm:
Optimization of Parameters of Nonbonded Interactions in a Spectroscopically Determined Force Field.
Computers & Chemistry 17(1): 67-72 (1993) |
| 1991 |
|---|
| 1 | EE | Kim Palmö,
Lars-Olof Pietilä,
Samuel Krimm:
Conversion of Ab-initio Force Fields and Structures to Molecular Mechanics Energy Functions.
Computers & Chemistry 15(3): 249-250 (1991) |
