검색결과 : 7건
| No. | Article |
|---|---|
| 1 |
Fast Quantum Chemical Simulations of Infrared Spectra of Organic Compounds with the B97-3c Composite Method Katsyuba SA, Zvereva EE, Grimme S Journal of Physical Chemistry A, 123(17), 3802, 2019 |
| 2 |
The role of London dispersion interactions in strong and moderate intermolecular hydrogen bonds in the crystal and in the gas phase Katsyuba SA, Vener MV, Zvereva EE, Brandenburg JG Chemical Physics Letters, 672, 124, 2017 |
| 3 |
Conjugation in and Optical Properties of 1-R-1,2-Diphospholes and 1-R-Phospholes Katsyuba SA, Burganov TI, Zvereva EE, Zagidullin AA, Miluykov VA, Lonnecke P, Hey-Hawkins E, Sinyashin OG Journal of Physical Chemistry A, 118(51), 12168, 2014 |
| 4 |
How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X-ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study Katsyuba SA, Vener MV, Zvereva EE, Fei ZF, Scopelliti R, Laurenczy G, Yan N, Paunescu E, Dyson PJ Journal of Physical Chemistry B, 117(30), 9094, 2013 |
| 5 |
Ab Initio and DFT Predictions of Infrared Intensities and Raman Activities Zvereva EE, Shagidullin AR, Katsyuba SA Journal of Physical Chemistry A, 115(1), 63, 2011 |
| 6 |
Application of density functional theory and vibrational spectroscopy toward the rational design of ionic liquids Katsyuba SA, Zvereva EE, Vidis A, Dyson PJ Journal of Physical Chemistry A, 111(2), 352, 2007 |
| 7 |
Revisiting ether-derivatized imidazolium-based ionic liquids Fei ZF, Ang WH, Zhao DB, Scopelliti R, Zvereva EE, Katsyuba SA, Dyson PJ Journal of Physical Chemistry B, 111(34), 10095, 2007 |