[HTML][HTML] The ONIOM method and its applications
The fields of theoretical and computational chemistry have come a long way since their
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
Agostic interactions in transition metal compounds
M Brookhart, MLH Green… - Proceedings of the …, 2007 - National Acad Sciences
Agostic interactions in transition metal compounds | PNAS PNAS Logo PNAS Logo
ARTICLES Current IssueLatest ArticlesSpecial FeaturesList of IssuesPNAS Nexus Front …
ARTICLES Current IssueLatest ArticlesSpecial FeaturesList of IssuesPNAS Nexus Front …
The σ‐CAM mechanism: σ complexes as the basis of σ‐bond metathesis at late‐transition‐metal centers
RN Perutz, S Sabo‐Etienne - … Chemie International Edition, 2007 - Wiley Online Library
Complexes in which a σ‐H E bond (E= H, B, Si, C) acts as a two‐electron donor to the
metal center are called σ complexes. Clues that it is possible to interconvert σ ligands …
metal center are called σ complexes. Clues that it is possible to interconvert σ ligands …
The borderless world of chemical bonding across the van der Waals crust and the valence region
The definition of the van der Waals crust as the spherical section between the atomic radius
and the van der Waals radius of an element is discussed and a survey of the application of …
and the van der Waals radius of an element is discussed and a survey of the application of …
Carbon-13 NMR chemical shift: a descriptor for electronic structure and reactivity of organometallic compounds
Conspectus Metal-bonded carbon atoms in metal–alkyl, metal–carbene/alkylidene, and
metal–carbyne/alkylidyne species often show significantly more deshielded isotropic …
metal–carbyne/alkylidyne species often show significantly more deshielded isotropic …
The occurrence and representation of three-centre two-electron bonds in covalent inorganic compounds
JC Green, MLH Green, G Parkin - Chemical Communications, 2012 - pubs.rsc.org
Although compounds that feature 3-centre 2-electron (3c–2e) bonds are well known, there
has been no previous effort to classify the interactions according to the number of electrons …
has been no previous effort to classify the interactions according to the number of electrons …
The gold–hydrogen bond, Au–H, and the hydrogen bond to gold, Au⋯ H–X
H Schmidbaur, HG Raubenheimer… - Chemical Society …, 2014 - pubs.rsc.org
In the first part of this review, the characteristics of Au–H bonds in gold hydrides are
reviewed including the data of recently prepared stable organometallic complexes with gold …
reviewed including the data of recently prepared stable organometallic complexes with gold …
Group 4 metal complexes for homogeneous olefin polymerisation: a short tutorial review
RA Collins, AF Russell, P Mountford - Applied Petrochemical Research, 2015 - Springer
The discovery of transition metal-catalysed polymerisation of olefins in the 1950s by Ziegler
and Natta was of huge importance. Over the last 30 years, the interest in homogenous …
and Natta was of huge importance. Over the last 30 years, the interest in homogenous …
Elucidating the Link between NMR Chemical Shifts and Electronic Structure in d0 Olefin Metathesis Catalysts
The nucleophilic carbon of d0 Schrock alkylidene metathesis catalysts,[M]= CHR, display
surprisingly low downfield chemical shift (δiso) and large chemical shift anisotropy. State-of …
surprisingly low downfield chemical shift (δiso) and large chemical shift anisotropy. State-of …
[BOOK][B] Magnetic parameters and magnetic functions in mononuclear complexes beyond the spin-Hamiltonian formalism
R Boča - 2006 - Springer
Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the
components of the Λ-tensor involving only the matrix elements of the angular momentum …
components of the Λ-tensor involving only the matrix elements of the angular momentum …