[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 …
Computational studies of synthetically relevant homogeneous organometallic catalysis involving Ni, Pd, Ir, and Rh: an overview of commonly employed DFT methods …
T Sperger, IA Sanhueza, I Kalvet… - Chemical …, 2015 - ACS Publications
The field of organometallic catalysis has attracted considerable interest from both academia
and industry due to its broad applications in synthetic transformations. Pd, Ni, Rh, and Ir …
and industry due to its broad applications in synthetic transformations. Pd, Ni, Rh, and Ir …
Palladium catalyzed C–C and C–N bond forming reactions: an update on the synthesis of pharmaceuticals from 2015–2020
Some of the most prominent and promising catalysts in organic synthesis for the requisite
construction of C–C and C–N bonds are palladium (Pd) catalysts, which play a pivotal role in …
construction of C–C and C–N bonds are palladium (Pd) catalysts, which play a pivotal role in …
Multimetallic-catalyzed C–C bond-forming reactions: from serendipity to strategy
LKG Ackerman-Biegasiewicz… - Journal of the …, 2023 - ACS Publications
The use of two or more metal catalysts in a reaction is a powerful synthetic strategy to access
complex targets efficiently and selectively from simple starting materials. While capable of …
complex targets efficiently and selectively from simple starting materials. While capable of …
[ΒΙΒΛΙΟ][B] Metal catalyzed cross-coupling reactions and more
A De Meijere, S Bräse, M Oestreich - 2013 - books.google.com
This three volume book is the follow-up handbook to the bestselling volume" Metal-
Catalyzed Cross-Coupling Reactions", the definitive reference in the field. In line with the …
Catalyzed Cross-Coupling Reactions", the definitive reference in the field. In line with the …
Advances in transition metal (Pd, Ni, Fe)-catalyzed cross-coupling reactions using alkyl-organometallics as reaction partners
R Jana, TP Pathak, MS Sigman - Chemical reviews, 2011 - ACS Publications
Transition metal-catalyzed cross-coupling reactions of organic electrophiles and
organometallic reagents have emerged as a tremendously powerful synthetic tool, and the …
organometallic reagents have emerged as a tremendously powerful synthetic tool, and the …
The development of bulky palladium NHC complexes for the most‐challenging cross‐coupling reactions
Palladium‐catalyzed cross‐coupling reactions enable organic chemists to form C C bonds
in targeted positions and under mild conditions. Although phosphine ligands have been …
in targeted positions and under mild conditions. Although phosphine ligands have been …
Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions
Understanding the mechanisms of chemical reactions, especially catalysis, has been an
important and active area of computational organic chemistry, and close collaborations …
important and active area of computational organic chemistry, and close collaborations …
Sterically demanding trialkylphosphines for palladium-catalyzed cross coupling reactions—alternatives to PtBu3
CA Fleckenstein, H Plenio - Chemical Society Reviews, 2010 - pubs.rsc.org
The strong electron-donation and the steric bulk of trialkylphosphines renders them as very
useful ligands for palladium-catalyzed cross coupling reactions. This critical review reports …
useful ligands for palladium-catalyzed cross coupling reactions. This critical review reports …
Atomically precise ultrasmall copper cluster for room-temperature highly regioselective dehydrogenative coupling
T Jia, YX Li, XH Ma, MM Zhang, XY Dong, J Ai… - Nature …, 2023 - nature.com
Three-component dehydrogenative coupling reactions represent important and practical
methodologies for forging new C–N bonds and C–C bonds. Achieving highly all-in-one …
methodologies for forging new C–N bonds and C–C bonds. Achieving highly all-in-one …