화학공학소재연구정보센터
검색결과 : 28건
No. Article
1 New interpretation of proton and deuteron tunneling in 2'-methylacetophenone
Fernandez-Ramos A, Siebrand W, Smedarchina Z
Chemical Physics Letters, 586, 61, 2013
2 Zero-Point Tunneling Splittings in Compounds with Multiple Hydrogen Bonds Calculated by the Rainbow Instanton Method
Smedarchina Z, Siebrand W, Fernandez-Ramos A
Journal of Physical Chemistry A, 117(43), 11086, 2013
3 Analysis of Kinetic Isotope Effects in Enzymatic Carbon-Hydrogen Cleavage Reactions
Siebrand W, Smedarchina Z
Journal of Physical Chemistry B, 115(23), 7679, 2011
4 Tunneling splitting and level ordering in a CO-stretch fundamental of the formic acid dimer
Siebrand W, Smedarchina Z, Fernandez-Ramos A
Chemical Physics Letters, 459(1-6), 22, 2008
5 The tautomerization dynamics of porphycene and its isotopomers -Concerted versus stepwise mechanisms
Smedarchina Z, Shibl MF, Kuhn O, Fernandez-Ramos A
Chemical Physics Letters, 436(4-6), 314, 2007
6 Generalized Swain-Schaad relations including tunneling and temperature dependence
Smedarchina Z, Siebrand W
Chemical Physics Letters, 410(4-6), 370, 2005
7 New interpretation of ground- and excited-state tunneling splitting in 2-pyridone center dot 2-hydroxypyridine
Smedarchina Z, Siebrand W, Fernandez-Ramos A, Martinez-Nunez E
Chemical Physics Letters, 386(4-6), 396, 2004
8 Calculation of the tunneling splitting in the zero-point level and CO-stretch fundamental of the formic acid dimer
Smedarchina Z, Fernandez-Ramos A, Siebrand W
Chemical Physics Letters, 395(4-6), 339, 2004
9 Proton transfer dynamics via high resolution spectroscopy in the gas phase and instanton calculations
Roscioli JR, Pratt DW, Smedarchina Z, Siebrand W, Fernandez-Ramos A
Journal of Chemical Physics, 120(24), 11351, 2004
10 Temperature dependence of kinetic isotope effects for enzymatic carbon-hydrogen bond cleavage
Siebrand W, Smedarchina Z
Journal of Physical Chemistry B, 108(13), 4185, 2004