| 1 |
Milieu-Initiated Inversion of the Aqueous Polyproline II/beta Propensity in the Alanine Tripeptide: Aggregation Origin of the Onset of Amyloid Formation
Mirkin NG, Krimm S
Journal of Physical Chemistry B, 122(16), 4428, 2018 |
| 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 |
Peptide (CD alpha)-D-alpha Stretch Frequencies in a Hydrated Conformation Are Perturbed Mainly by C-alpha-D-alpha center dot center dot center dot O Hydrogen Bonding
Mirkin NG, Krimm S
Journal of Physical Chemistry B, 112(48), 15267, 2008 |
| 4 |
Conformation dependence of the (CD alpha)-D-alpha stretch mode in peptides. 1. Isolated alanine peptide structures
Mirkin NG, Krimm S
Journal of Physical Chemistry A, 111(24), 5300, 2007 |
| 5 |
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 |
| 6 |
Irreducible representation and projection operator application to understanding nonlinear optical phenomena: Hyper-raman, sum frequency generation, and four-wave mixing spectroscopy
Lee SH, Wang J, Krimm S, Chen Z
Journal of Physical Chemistry A, 110(22), 7035, 2006 |
| 7 |
Limitations of the molecular multipole expansion treatment of electrostatic interactions for C-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds and application of a general charge density approach
Qian WL, Krimm S
Journal of Physical Chemistry A, 109(25), 5608, 2005 |
| 8 |
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 |
| 9 |
Structural dependence of NH stretch mode frequency shifts in amide and peptide
Mirkin NG, Krimm S
Journal of Physical Chemistry A, 108(25), 5438, 2004 |
| 10 |
A new vibrational spectroscopic tool for the determination of peptide conformation: The isotope-edited (CH alpha)-H-alpha stretch mode
Mirkin NG, Krimm S
Journal of Physical Chemistry A, 108(50), 10923, 2004 |
