화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Oxidative addition of hydrogen halides and dihalogens to Pd. Trends in reactivity and relativistic effects
de Jong GT, Kovacs A, Bickelhaupt FM
Journal of Physical Chemistry A, 110(25), 7943, 2006
2 Oxidative addition of the fluoromethane C-F bond to Pd. An ab initio benchmark and DFT validation study
de Jong GT, Bickelhaupt FM
Journal of Physical Chemistry A, 109(42), 9685, 2005
3 Ab initio benchmark study for the oxidative addition of CH4 to Pd: Importance of basis-set flexibility and polarization
de Jong GT, Sola M, Visscher L, Bickelhaupt FM
Journal of Chemical Physics, 121(20), 9982, 2004