The application of computational methods in enantioselective catalysis has evolved from the
rationalization of the observed stereochemical outcome to their prediction and application to …

Significant progress has been made in recent years in the use of AI and Machine Learning
(ML) for catalyst discovery and optimisation. The effectiveness of ML and data science …

The transition metal (palladium)-catalysed asymmetric 1, 4-addition of arylboronic acids to
conjugated enones belong to the most important and emerging strategies for the …

The generation of surrogate potential energy functions (PEF) that are orders of magnitude
faster to compute but as accurate as the underlying training data from high-level electronic …

Automated transition state (TS) structure computations for a recently reported Pd-catalysed
conjugated addition of arylboronic acids to 2-substituted chromones (D. Baek, H. Ryu, JY …

Controlling the number of C–H bond activation is a long-standing challenge in organic
synthesis. Recently, Yu's group demonstrated that in Pd-catalyzed alanine's arylation …

Late transition metal catalysis for olefin polymerization has been a cornerstone of both
academic and industrial polyolefin research, especially with Brookhart's pioneering work on …

The computational chemistry community has long sought to develop predictive methods to
accelerate experimental studies. Understanding chemical transformations is a critical step in …

Byla provedena literární rešerše shrnující nejnovější poznatky týkající se aplikace
palladnatých komplexů (S)-4-(terc-butyl)-2-(5-(trifluoromethyl) pyridin-2-yl)-4, 5 …