Ajitha Manjaly John (@Ajithajohn) profile picture

Ajitha Manjaly John

@Ajithajohn

computational chemist

Joined December 2013
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Ajitha Manjaly John retweeted
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CBOND2024@CBOND202425 Sep 2024
Amsterdam is a magical place! 🛥️
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Ajitha Manjaly John retweeted
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CompChemNews@CompChemNews8 May 2020
[JCTC] [ASAP] Artificial Neural Networks Applied as Molecular Wave Function Solvers dlvr.it/RWHYLy
Artificial Neural Networks Applied as Molecular Wave Function Solvers

Artificial Neural Networks Applied as Molecular Wave Function Solvers

Abstract. We use artificial neural networks (ANNs) based on the Boltzmann machine (BM) architectures as an encoder of ab initio molecular many-electron wav

pubs.acs.org
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Ajitha Manjaly John retweeted
Inorganic News (@InorganicNews) profile picture
Inorganic News@InorganicNews29 Mar 2016
[DT] A potential role of substrate as a base for deprotonation pathway in Rh-catalysed C-H amination of… dlvr.it/KwCjRs
A potential role of a substrate as a base for the deprotonation pathway in Rh-catalysed C–H...

A potential role of a substrate as a base for the deprotonation pathway in Rh-catalysed C–H...

The possibility of direct introduction of a new functionality through C–H bond activation is an attractive strategy in covalent synthesis. Here, we investi

pubs.rsc.org
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Organic & Biomolecular Chemistry (RSC Publishing) pubs.rsc.org/en/content/arti…
Role of keto–enol tautomerization in a chiral phosphoric acid catalyzed asymmetric thiocarboxylysis...

Role of keto–enol tautomerization in a chiral phosphoric acid catalyzed asymmetric thiocarboxylysis...

The mechanism of a chiral phosphoric acid catalyzed thiocarboxylysis of meso-epoxide was investigated by density functional theory (DFT) calculations (M06-

pubs.rsc.org
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