화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Theoretical study of the electronic spectrum of the SiC- anion
Cai ZL, Francois JP
Journal of Physical Chemistry A, 103(8), 1007, 1999
2 Rigorous formula for the fast calculation of the electron repulsion integral over the solid harmonic Gaussian-type orbitals
Ishida K
Journal of Chemical Physics, 109(3), 881, 1998
3 Electronic-Structure of the Transition-Metal Nitrides Tin, Vn, and Crn
Harrison JF
Journal of Physical Chemistry, 100(9), 3513, 1996
4 First Row Benchmark Tests of the Parametrized Configuration-Interaction with Parameter-X (Pci-X) Scheme
Siegbahn PE, Svensson M, Boussard PJ
Journal of Chemical Physics, 102(13), 5377, 1995
5 The Structure, Spectroscopy, and Excited-State Predissociation Dynamics of Geh2
Karolczak J, Harper WW, Grev RS, Clouthier DJ
Journal of Chemical Physics, 103(8), 2839, 1995
6 Ziegler-Natta Ethylene Insertion Reaction for a 5-Coordinate Titanium Chloride Complex Bridged to an Aluminum-Hydride Cocatalyst
Jensen VR, Borve KJ, Ystenes M
Journal of the American Chemical Society, 117(14), 4109, 1995
7 On the Performance of Correlation Consistent Basis-Sets for the Calculation of Total Atomization Energies, Geometries, and Harmonic Frequencies
Martin JM
Journal of Chemical Physics, 100(11), 8186, 1994
8 Reaction of 2nd-Row Transition-Metal Cations with Methane
Blomberg MR, Siegbahn PE, Svensson M
Journal of Physical Chemistry, 98(8), 2062, 1994
9 Experimental and Ab-Initio Theoretical-Study of the Kinetics of Rearrangement of Ketene Imine to Acetonitrile
Doughty A, Bacskay GB, Mackie JC
Journal of Physical Chemistry, 98(51), 13546, 1994
10 The Metal-Alkene Bond in Rh(I)(Beta-Diketonato)(Alkene)(2) Complexes - Correlation of Rh-103-NMR Shifts with Stability-Constants, Alkene Excitation-Energies, and D-D Absorption-Bands - An Experimental and Theoretical-Study
Akermark B, Blomberg MR, Glaser J, Ohrstrom L, Wahlberg S, Warnmark K, Zetterberg K
Journal of the American Chemical Society, 116(8), 3405, 1994