Heavy Grignard reagents: synthesis, physical and structural properties, chemical behavior, and reactivity
M Westerhausen, A Koch, H Görls… - Chemistry–A European …, 2017 - Wiley Online Library
The Grignard reaction offers a straight forward atom‐economic synthesis of
organomagnesium halides, which undergo redistribution reactions (Schlenk equilibrium) …
organomagnesium halides, which undergo redistribution reactions (Schlenk equilibrium) …
The GAMESS-UK electronic structure package: algorithms, developments and applications
MF Guest*, IJ Bush, HJJ Van Dam, P Sherwood… - Molecular …, 2005 - Taylor & Francis
A description of the ab initio quantum chemistry package GAMESS-UK is presented. The
package offers a wide range of quantum mechanical wavefunctions, capable of treating …
package offers a wide range of quantum mechanical wavefunctions, capable of treating …
The (Me5C5)Si+ Cation: A Stable Derivative of HSi+
P Jutzi, A Mix, B Rummel, WW Schoeller, B Neumann… - Science, 2004 - science.org
The reaction of decamethylsilicocene,(Me5C5) 2Si, with the proton-transfer reagent
Me5C5H2+ B (C6F5) 4–produces the salt (Me5C5) Si+ B (C6F5) 4 (2), which can be …
Me5C5H2+ B (C6F5) 4–produces the salt (Me5C5) Si+ B (C6F5) 4 (2), which can be …
Snapshots of a Migrating H‐Atom: Characterization of a Reactive Iron (III) Indenide Hydride and its Nearly Isoenergetic Ring‐Protonated Iron (I) Isomer
We report the characterization of an S= iron π‐complex,[Fe (η6‐IndH)(depe)]+(Ind= Indenide
(C9H7−), depe= 1, 2‐bis (diethylphosphino) ethane), which results via C− H elimination from …
(C9H7−), depe= 1, 2‐bis (diethylphosphino) ethane), which results via C− H elimination from …
Geometry optimization using generalized, chemically meaningful constraints
PHM Budzelaar - Journal of computational chemistry, 2007 - Wiley Online Library
An external geometry optimizer (BOptimize) is described that can be used together with a
number of existing quantum‐chemical codes (Gaussian, Gamess‐UK, Turbomole, ADF …
number of existing quantum‐chemical codes (Gaussian, Gamess‐UK, Turbomole, ADF …
Theoretical and synthetic studies on [Zn2 (eta5-C5Me5) 2]: analysis of the Zn-Zn bonding interaction
D del Río, A Galindo, I Resa… - … (International ed. in …, 2005 - pubmed.ncbi.nlm.nih.gov
Tetrylenes: Electronic Structure, Stability, Reactivity, and Ligand Properties—A Comparative DFT Study
MS Nechaev - Organometallics, 2021 - ACS Publications
A comprehensive theoretical analysis of the electronic structure, reactivity, and ligand
properties for various types of divalent derivatives of group 14 elements, tetrylenes, R2E (E …
properties for various types of divalent derivatives of group 14 elements, tetrylenes, R2E (E …
Aromatic 1, 4, 2, 3‐Diazadiborole Featuring an Unsymmetrical B= B Entity: A Versatile Synthon for Unusual Boron Heterocycles
The replacement of a CC unit with an isoelectronic BN unit in aromatic systems can give rise
to molecules and materials with fascinating properties. We report here the synthesis …
to molecules and materials with fascinating properties. We report here the synthesis …
[图书][B] The Chemistry of Organozinc Compounds: R-Zn
Z Rappoport, I Marek - 2007 - books.google.com
The Patai Series publishes comprehensive reviews on all aspects of specific functional
groups. Each volume contains outstanding surveys on theoretical and computational …
groups. Each volume contains outstanding surveys on theoretical and computational …
A phosphorus Lewis super acid: η5-pentamethylcyclopentadienyl phosphorus dication
Abstraction of chloride from (Cp* PCl 2) with the silylium salt [Et 3 Si][B (C 6 F 5) 4] afforded
[(η 2-Cp*) PCl][B (C 6 F 5) 4](1), whereas further chloride abstraction using another …
[(η 2-Cp*) PCl][B (C 6 F 5) 4](1), whereas further chloride abstraction using another …