Export 3 results:
Filters: Keyword is DENSITY-FUNCTIONAL CALCULATIONS  [Clear All Filters]
2005
Ghandi*, K. ; Zahariev, F. E. ; Wang, Y. A. Theoretical Studies Of Alkyl Radicals In The Nay And Hy Zeolites. J. Phys. Chem. A 2005, 109, 7242-7250.
2002
Takaoka, K. ; Otsuka, T. ; Naka, K. ; Niwa, A. ; Suzuki, T. ; Bureau, C. ; Maeda, S. ; Hyodo, K. ; Endo, K. ; Chong, D. P. Analysis Of X-Ray Photoelectron Spectra Of Electrochemically Prepared Polyaniline By Dft Calculations Using Model Molecules. Journal of Molecular Structure 2002, 608, 175-182.
2001
Evans, C. J. ; Gerry, M. C. L. Pure Rotational Spectrum And Structure Of Platinum Monocarbonyl, Ptco. Journal of Physical Chemistry A 2001, 105, 9659-9663.