[HTML][HTML] The ONIOM method and its applications

LW Chung, WMC Sameera, R Ramozzi… - Chemical …, 2015 - ACS Publications
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 …

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 …

Palladium catalyzed C–C and C–N bond forming reactions: an update on the synthesis of pharmaceuticals from 2015–2020

J Rayadurgam, S Sana, M Sasikumar… - Organic Chemistry …, 2021 - pubs.rsc.org
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 …

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 …

[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 …

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 …

The development of bulky palladium NHC complexes for the most‐challenging cross‐coupling reactions

C Valente, S Çalimsiz, KH Hoi, D Mallik… - Angewandte Chemie …, 2012 - Wiley Online Library
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 …

Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions

GJ Cheng, X Zhang, LW Chung, L Xu… - Journal of the American …, 2015 - ACS Publications
Understanding the mechanisms of chemical reactions, especially catalysis, has been an
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 …

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 …