화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Chiral Thiophene Sulfonamide-A Challenge for VOA Calculations
Rode JE, Dobrowolski JC, Lyczko K, Wasiewicz A, Kaczorek D, Kawecki R, Zajac G, Baranska M
Journal of Physical Chemistry A, 121(36), 6713, 2017
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 On Stability, Chirality Measures, and Theoretical VCD Spectra of the Chiral C58X2 Fullerenes (X = N, B)
Ostrowski S, Jamroz MH, Rode JE, Dobrowolski JC
Journal of Physical Chemistry A, 116(1), 631, 2012
4 Variation of BCP ellipticities in the course of the pericyclic and pseudopericyclic [2+2] cycloaddition reactions of cumulenes
Rode JE, Dobrowolski JC
Chemical Physics Letters, 449(1-3), 240, 2007
5 Use of a quantum chemistry method for determination of the geometry and energy of reacting molecules, products and transition state exemplified by oxidation of propylene to propylene oxide
Bajdor K, Rode JE, Dobrowolski JC
Przemysl Chemiczny, 86(4), 337, 2007
6 Reaction paths of the [2+2] cycloaddition of X=C=Y molecules (X, Y=S or O or CH2). Ab initio study
Rode JE, Dobrowolski JC
Journal of Physical Chemistry A, 110(1), 207, 2006
7 An ab initio study on the allene-isocyanic acid and ketene-vinylimine [2+2] cycloaddition reaction paths
Rode JE, Dobrowoski JC
Journal of Physical Chemistry A, 110(10), 3723, 2006
8 Ar-matrix IR spectra of 5-halouracils interpreted by means of DFT calculations
Dobrowolski JC, Rode JE, Kolos R, Jamroz MH, Bajdor K, Mazurek AP
Journal of Physical Chemistry A, 109(10), 2167, 2005
9 Interactions in open-shell clusters: Ab initio study of pre-reactive complex O(P-3)+HCl
Rode JE, Klos J, Rajchel L, Szczesniak MM, Chalasinski G, Buchachenko AA
Journal of Physical Chemistry A, 109(50), 11484, 2005
10 Theoretical studies on the oxetane center dot center dot center dot HCl and thietane center dot center dot center dot HCl complexes
Rode JE, Dobrowolski JC
Chemical Physics Letters, 360(1-2), 123, 2002