Recent advances of catalytic asymmetric 1, 3-dipolar cycloadditions

T Hashimoto, K Maruoka - Chemical reviews, 2015 - ACS Publications
In his seminal work, 1 Rolf Huisgen defined 1, 3-dipolar cycloadditions as “1, 3-Dipole, abc,
must be defined, such that atom a posseses an electron sextet, that is, an incomplete …

The Pauli repulsion-lowering concept in catalysis

TA Hamlin, FM Bickelhaupt… - Accounts of Chemical …, 2021 - ACS Publications
Conspectus Organic chemistry has undoubtedly had a profound impact on humanity. Day in
and day out, we find ourselves constantly surrounded by organic compounds …

ChemCrow: Augmenting large-language models with chemistry tools

AM Bran, S Cox, O Schilter, C Baldassari… - arXiv preprint arXiv …, 2023 - arxiv.org
Over the last decades, excellent computational chemistry tools have been developed.
Integrating them into a single platform with enhanced accessibility could help reaching their …

[HTML][HTML] Augmenting large language models with chemistry tools

A M. Bran, S Cox, O Schilter, C Baldassari… - Nature Machine …, 2024 - nature.com
Large language models (LLMs) have shown strong performance in tasks across domains
but struggle with chemistry-related problems. These models also lack access to external …

Halogen bonding in organic synthesis and organocatalysis

D Bulfield, SM Huber - Chemistry–A European Journal, 2016 - Wiley Online Library
Halogen bonding is a noncovalent interaction similar to hydrogen bonding, which is based
on electrophilic halogen substituents. Hydrogen‐bonding‐based organocatalysis is a well …

A bidentate iodine (III)‐based halogen‐bond donor as a powerful organocatalyst

F Heinen, DL Reinhard, E Engelage… - Angewandte Chemie …, 2021 - Wiley Online Library
In contrast to iodine (I)‐based halogen bond donors, iodine (III)‐derived ones have only
been used as Lewis acidic organocatalysts in a handful of examples, and in all cases they …

Design and optimization of catalysts based on mechanistic insights derived from quantum chemical reaction modeling

S Ahn, M Hong, M Sundararajan, DH Ess… - Chemical …, 2019 - ACS Publications
Until recently, computational tools were mainly used to explain chemical reactions after
experimental results were obtained. With the rapid development of software and hardware …

Small-molecule H-bond donors in asymmetric catalysis

AG Doyle, EN Jacobsen - Chemical Reviews, 2007 - ACS Publications
Enantioselective synthesis with small-molecule chiral hydrogen-bond donors has emerged
as a frontier of research in the field of asymmetric catalysis. Organic chemists have …

Organic reactions in aqueous media with a focus on carbon− carbon bond formations: a decade update

CJ Li - Chemical Reviews, 2005 - ACS Publications
Organic syntheses are composed of two main types of reactions: Carbon-carbon bond
formations and functional group transformations. CC bond formation is the essence of …

In the golden age of organocatalysis

PI Dalko, L Moisan - Angewandte Chemie International Edition, 2004 - Wiley Online Library
The term “organocatalysis” describes the acceleration of chemical reactions through the
addition of a substoichiometric quantity of an organic compound. The interest in this field has …