Publication

Synthesis of 3,3-disubstituted oxindoles by one-pot integrated Brønsted base-catalyzed trichloroacetimidation of 3-hydroxyoxindoles and Brønsted acid-catalyzed nucleophilic substitution reaction

Related publications (26)

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

New Vinylation and Alkynylation Strategies with Hypervalent Iodine Reagents and Diazo Compounds

Guillaume Dominique Pisella

The development of a sequential copper-catalyzed oxy-alkynylation/intramolecular [4+2] cycloaddition of allenes and arenes was investigated at first. This one-pot protocol allowed the construction of complex polycylic architectures with high efficiency fro ...

EPFL2021

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

Iurii Timrov

Accurate computational predictions of band gaps are of practical importance to the modeling and development of semiconductor technologies, such as (opto)electronic devices and photoelectrochemical cells. Among available electronic-structure methods, densi ...

2021

Deterministic and Statistical Approaches to Quantum Chemistry

Alberto Fabrizio

The field of quantum chemistry has recently undergone a series of paradigm shifts, including a boom in machine learning applications that target the electronic structure problem. Along with these technological innovations, the community continues to identi ...

EPFL2020

A Fourier-accelerated volume integral method for elastoplastic contact

Jean-François Molinari, Guillaume Anciaux, Lucas Henri Galilée Frérot

The contact of solids with rough surfaces plays a fundamental role in physical phenomena such as friction, wear, sealing, and thermal transfer. However, its simulation is a challenging problem due to surface asperities covering a wide range of length-scale ...

2019

Parallel Implementation Technique of Digital Equalizer for Ultra-High-Speed Wireline Receiver

Cosimo Aprile, Yusuf Leblebici, Alessandro Cevrero, Lukas Kull, Gain Kim, Ilter Ozkaya, Thomas Toifl

This paper presents a parallel implementation technique of digital equalizer for high-speed wireline serial link receiver (RX). In wireline RX, inter-symbol interference (ISI) is mitigated by continuous-time linear equalizer, and the remaining ISI is cance ...

2018

An FFT-based Numerical Method for Elasto-Plastic Contact

Jean-François Molinari, Guillaume Anciaux, Lucas Henri Galilée Frérot

Contact of rough surfaces is of prime importance in the study of friction and wear. Numerical simulations are well suited for this non-linear problem, but natural surfaces being fractal [1], they have high discretization requirements. There is therefore a ...

2018

Fast multiscale reconstruction for Cryo-EM

Michaël Unser, Laurène Donati, Masih Nilchian

We present a multiscale reconstruction framework for single-particle analysis (SPA). The representation of three-dimensional (3D) objects with scaled basis functions permits the reconstruction of volumes at any desired scale in the real-space. This multisc ...

2018

Improving Performance and Accuracy of Hybrid-Functional Based Molecular Dynamics in Plane Waves

Martin Peter Bircher

The simulation of condensed matter in first principles Molecular Dynamics (FPMD) heavily relies on Kohn-Sham Density Functional Theory (KS-DFT) calculations. The accuracy of such simulations is governed by the reliability of the underlying potential energy ...

EPFL2018

Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

William Curtin, Nicola Marzari, Francesco Maresca, Daniele Dragoni

The plastic flow behavior of bcc transition metals up to moderate temperatures is dominated by the thermally activated glide of screw dislocations, which in turn is determined by the atomic-scale screw dislocation core structure and the associated kink-pai ...

2018

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.