Journal ArticleDOI
Relationship between olefinic .pi. complexes and three-membered rings
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This article is published in Journal of the American Chemical Society.The article was published on 1979-02-01. It has received 196 citations till now.read more
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Journal ArticleDOI
Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches
Dirk Bakowies,Walter Thiel +1 more
TL;DR: A hierarchy of three models for combined quantum mechanical (QM) and molecular mechanical (MM) approaches is presented in this paper, which simplify the QM description of large molecules by reducing it to the electronically important fragment which interacts with the molecular mechanically treated remainder of the molecule.
Journal ArticleDOI
The nature of the bonding in transition-metal compounds.
Book ChapterDOI
Formation of C–C Bonds via Iridium-Catalyzed Hydrogenation and Transfer Hydrogenation
TL;DR: In this review, iridium-catalyzed C-C bond-forming hydrogenations and transfer hydrogenations are surveyed, encompassing selective, atom-economic methods for the vinylation and allylation of carbonyl compounds and imines.
Journal ArticleDOI
Catalytic enantioselective C-H functionalization of alcohols by redox-triggered carbonyl addition: Borrowing hydrogen, returning carbon
TL;DR: A broad, new family of enantioselective C-C coupling reactions that are catalyzed by iridium or ruthenium complexes have been developed, which are summarized in this Minireview.
Journal ArticleDOI
Reactions of simple hydrocarbons with Nb n : Chemisorption and physisorption on ionized niobium clusters
TL;DR: In this article, a Fourier transform-ion cyclotron resonance mass spectrometer was used to investigate the gas phase reactivities of Niobium clusters Nb+n with molecular hydrogen, water, methane, ethane, n−propane, cyclohexane, acetylene, ethylene, allene, benzene, propene, toluene, xylene, and acetonitrile.
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Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters
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