검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular Details Massarczyk M, Rudack T, Schlitter J, Kuhne J, Kotting C, Gerwert K Journal of Physical Chemistry B, 121(15), 3483, 2017 |
| 2 |
IR spectra of phosphate ions in aqueous solution: Predictions of a DFT/MM approach compared with observations Klahn M, Mathias G, Kotting C, Nonella M, Schlitter J, Gerwert K, Tavan P Journal of Physical Chemistry A, 108(29), 6186, 2004 |
| 3 |
A new concise expression for the free energy of a reaction coordinate Schlitter J, Klahn M Journal of Chemical Physics, 118(5), 2057, 2003 |
| 4 |
Free-Energy as the Potential of Mean Constraint Force Mulders T, Kruger P, Swegat W, Schlitter J Journal of Chemical Physics, 104(12), 4869, 1996 |