화학공학소재연구정보센터
검색결과 : 57건
No. Article
1 The influence of the dispersion corrections on the performance of DFT method in modeling HNgY noble gas molecules and their complexes
Cukras J, Sadlej J
Chemical Physics Letters, 691, 319, 2018
2 Prediction of L-Methionine VCD Spectra in the Gas Phase and Water Solution
Rode JE, Dobrowolski JC, Sadlej J
Journal of Physical Chemistry B, 117(46), 14202, 2013
3 Structure, Energetics, and Infrared Spectra of Weakly Bound HC2n+1N center dot center dot center dot HCl Complexes. A Theoretical Study
Gronowski M, Kolos R, Sadlej J
Journal of Physical Chemistry A, 116(23), 5665, 2012
4 Thermal Fluctuations and Infrared Spectra of the Formamide-Formamidine Complex
Walewski L, Smaga A, Lesyng B, Sadlej J
Journal of Physical Chemistry A, 116(42), 10412, 2012
5 Spectroscopic parameters in noble gas molecule: HXeF and its complex with HF
Jankowska J, Sadlej J
Chemical Physics Letters, 517(4-6), 155, 2011
6 Nuclear Magnetic Resonance Parameters for Methane Molecule Trapped in Clathrate Hydrates
Siuda P, Sadlej J
Journal of Physical Chemistry A, 115(5), 612, 2011
7 Calculated Nuclear Magnetic Resonance Parameters for Multiproton-Exchange and Nonbonded-Hydrogen Rotation Processes in Cyclic Water Clusters
Cybulski H, Sadlej J
Journal of Physical Chemistry A, 115(23), 5774, 2011
8 Theoretical Study of the Lactic Acid-Water System: Importance of Two-and Three-Body Interactions
Smaga A, Sadlej J
Journal of Physical Chemistry A, 114(12), 4427, 2010
9 Static electric polarizabilities and first hyperpolarizabilities of molecular ions RgH(+) (Rg = He, Ne, Ar, Kr, Xe): ab initio study
Cukras J, Antusek A, Holka F, Sadlej J
Chemical Physics Letters, 474(4-6), 258, 2009
10 Symmetry-adapted perturbation theory interaction energy decomposition for some noble gas complexes
Cukras J, Sadlej J
Chemical Physics Letters, 459(1-6), 44, 2008