C1 and boron atom is 360'. Despite the bulky substituents at the B-CI bond, the dihedral angle between the BC5C14 and the. C1 Si P planes is only 31.5', which ...
Jul 1, 1994 - MO/MP4 Study. Shigeyoshi Sakaki,' Masahiro Ogawa, Yasuo Musashi, and Tom Ami. Contribution from the Department of Applied Chemistry, ...
Why Does the Rhodium-Catalyzed Hydrosilylation of Alkenes Take Place through a Modified ChalkâHarrod Mechanism? A Theoretical Study. Shigeyoshi ...
Aug 1, 1994 - Takashi Sagawa, Kazutaka Ohtsuki, Takeshi Ishiyama, and .... Tsuji, Kayo Nishiyama, Sei-ichi Hori, Masahiro Ebihara, and Takashi Kawamura.
Feb 10, 2017 - The structure and harmonic and anharmonic IR spectra of the protonated water dimer (PWD) were calculated in C1, C2, and Cs symmetry at the MP4/acc-pVTZ level of theory. We found that structure and IR spectra are practically identical i
Feb 10, 2017 - MP4 Study of the Anharmonic Coupling of the Shared Proton ... We obtained a rather reasonable value of the stretching frequency of the ...
Jul 1, 1987 - Sellers, Jan. Almlof, Svein. Saebo, Peter. Pulay ... David M. Turnbull, Michael G. Sowa, and Bryan R. Henry. The Journal of Physical Chemistry ...
Feb 10, 2017 - Chemical R&D leaders say they intend to beef up technology and marketing help for ... Supercharged bleach powers greener oxidations. Concentrated bleach crystals streamline industrial oxidations. The chemical industry must plan better
In this work, the BAC-MP4 method is extended for the first time to compounds in the fourth row of the periodic table, resulting in a self-consistent set of ...
Dec 8, 2005 - Adsorption and Dissociation of Trimethylindium on an Indium Nitride Substrate. A Computational Study. Beatriz H. Cardelino and Carlos A.
J. Am. Chem. SOC.1991, 113, 5063-5065
C1 and boron atom is 360'. Despite the bulky substituents a t the B-CI bond, the dihedral angle between the BC5C14 and the C1 Si P planes is only 31.5', which is much smaller than that found for Mes3B (5O0)I5 but comparable to the value observed for 4 (25.8°).1d These results as a whole suggest that, in the solid state, compound 3a has partial boron-carbon double bond character. H
