By J.M. Brown, P. Hofmann, P.B. Armentrout, D. Braga, A. Dedieu, P. Gisdakis, A. Görling, F. Grepioni, F. Maseras, N. Rösch, S.B. T
Written by means of specialists and pioneers within the box, the quantity addresses cutting-edge theoretical and experimental methodologies acceptable to primary difficulties of constitution and reactivity of organometallic compounds. the foundations of ab initio and density sensible thought, in addition to built-in strength field/quantum chemistry ways are defined, with specific emphasis on their applicability to transition steel organometallic molecules and their reactions. particular case reviews, spanning a spread from static structural facets to molecular constitution dynamics, response mechanisms and catalytic cycles illustrate the facility of recent quantum chemistry for organometallics. Experimental houses of organometallic structures, derived from fuel part organometallic chemistry in addition to stable country structural chemistry supply deep and complementary insights into the basics of the chemistry of the metal-carbon bond.
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