| 1 |
Rotational Relaxation in ortho-Terphenyl: Using Atomistic Simulations to Bridge Theory and Experiment
Eastwood MP, Chitra T, Jumper JM, Palmo K, Pan AC, Shaw DE
Journal of Physical Chemistry B, 117(42), 12898, 2013 |
| 2 |
Spectroscopically Determined Force Field for Water Dimer: Physically Enhanced Treatment of Hydrogen Bonding in Molecular Mechanics Energy Functions
Mannfors B, Palmo K, Krimm S
Journal of Physical Chemistry A, 112(49), 12667, 2008 |
| 3 |
Inclusion of charge and polarizability fluxes provides needed physical accuracy in molecular mechanics force fields
Palmo K, Mannfors B, Mirkin NG, Krimm S
Chemical Physics Letters, 429(4-6), 628, 2006 |
| 4 |
Theoretical basis and accuracy of a non-iterative polarization protocol in molecular mechanics energy function calculations
Palmo K, Krimm S
Chemical Physics Letters, 395(1-3), 133, 2004 |
| 5 |
Balanced charge treatment of intramolecular electrostatic interactions in molecular mechanics energy functions
Palmo K, Mannfors B, Krimm S
Chemical Physics Letters, 369(3-4), 367, 2003 |
| 6 |
Analysis of the pyramidalization of the peptide group nitrogen: Implications for molecular mechanics energy functions
Mannfors BE, Mirkin NG, Palmo K, Krimm S
Journal of Physical Chemistry A, 107(11), 1825, 2003 |
| 7 |
Energetics analysis of forms I-IV syndiotactic polypropylene crystal structures
Palmo K, Krimm S
Macromolecules, 35(2), 394, 2002 |
| 8 |
A new method to calculate B-matrix elements for external rotations with application to the B-matrix internal coordinate molecular dynamics formalism
Lee SH, Palmo K, Krimm S
Chemical Physics Letters, 342(5-6), 643, 2001 |
| 9 |
Spectroscopically determined force fields for macromolecules. 2. Saturated hydrocarbon chains
Palmo K, Mirkin NG, Krimm S
Journal of Physical Chemistry A, 102(32), 6448, 1998 |
| 10 |
Chain Elastic-Modulus of Polyethylene - A Spectroscopically Determined Force-Field (Sdff) Study
Palmo K, Krimm S
Journal of Polymer Science Part B: Polymer Physics, 34(1), 37, 1996 |
