Multiconfiguration self-consistent field and multireference configuration interaction methods and applications

PG Szalay, T Muller, G Gidofalvi, H Lischka… - Chemical …, 2012 - ACS Publications
The configuration interaction (CI) method is a general procedure to compute approximate
solutions to the electronic Schrödinger equation. The wave function is written as a linear …

Metal-catalyzed 1, 3-dipolar cycloaddition reactions of nitrile oxides

S Roscales, J Plumet - Organic & Biomolecular Chemistry, 2018 - pubs.rsc.org
In the present review advances in the metal-catalyzed 1, 3-dipolar cycloaddition reactions of
nitrile oxides, mainly in the last decade, will be presented and discussed. An overview on …

Nitrile Oxide/Alkyne Cycloadditions–A Credible Platform for Synthesis of Bioinspired Molecules by Metal‐Free Molecular Clicking

F Heaney - European Journal of Organic Chemistry, 2012 - Wiley Online Library
The need for precise and flexible synthetic methodology to underpin modern research in
chemical biology and materials science has fuelled a resurgence of interest in Huisgen 1, 3 …

1, 3‐Dipolar Cycloaddition Reactions of Nitrile Oxides under “Non‐Conventional” Conditions: Green Solvents, Irradiation, and Continuous Flow

J Plumet - ChemPlusChem, 2020 - Wiley Online Library
Abstract The 1, 3‐dipolar cycloaddition reactions (DCs) of nitrile oxides (NOs) to alkenes
and alkynes are useful methods for the synthesis of 2‐isoxazolines and isoxazoles …

Clean and molecularly programmable protocol for preparation of bis-heterobiarylic systems via a domino pseudocyclic reaction as a valuable alternative for TM …

P Woliński, A Kącka-Zych, OM Demchuk… - Journal of Cleaner …, 2020 - Elsevier
The domino sequence of pseudocyclic reactions involving 4-methoxybenzonitrile N-oxide
and trans-2-phenyl-1-cyano-1-nitroethene proceeding in mild (rt; atm. pressure) non …

Recent advances in the generation of nitrilium betaine 1, 3-dipoles

K Livingstone, G Little, C Jamieson - Synthesis, 2021 - thieme-connect.com
Nitrilium betaine 1, 3-dipoles are ubiquitous reagents in organic chemistry, with applications
ranging from natural product synthesis to materials science. Given the high reactivity of …

Solid phase strain promoted “click” modification of DNA via [3+ 2]-nitrile oxide–cyclooctyne cycloadditions

I Singh, F Heaney - Chemical Communications, 2011 - pubs.rsc.org
Rapid, catalyst free, solid phase modification of DNA by strain promoted cyclooctyne–nitrile
oxide click chemistry is reported; the reaction is characterised by mild conditions, occurring …

A base promoted multigram synthesis of aminoisoxazoles: valuable building blocks for drug discovery and peptidomimetics

BA Chalyk, IY Kandaurova, KV Hrebeniuk… - RSC …, 2016 - pubs.rsc.org
A practical multigram metal free synthesis of isoxazole-containing building blocks from
commercially available amino acids was elaborated. The key reaction was a regioselective …

Synthesis and reactivity of aminofuroxans

DM Bystrov, LL Fershtat, NN Makhova - Chemistry of Heterocyclic …, 2019 - Springer
In this review article, we provide general information on the known methods for directed
synthesis of 3-and 4-aminofuroxans, as well as analyze the main aspects of their reactivity …

Synthesis of Glycoconjugates through Chlorooxime–Thiol Conjugation

W Gu, J Huang, Y Lu, W Lin, W Xu… - The Journal of Organic …, 2024 - ACS Publications
Introducing glycans represents an efficient chemical approach to improve the
pharmacological properties of therapeutic biomolecules. Herein, we report an efficient …