Tag: Physical organic chemistry

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Recent Related Articles to Physical organic chemistry

DFT boosts machine-learning models of nucleophilic aromatic substitution reactions

Added to Collection on: 2021-01-06 14:26:15

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Physical sciences
Natural sciences
Chemistry
Substitution reactions
Physical organic chemistry
Nucleophilic aromatic substitution
Nucleophile
Chemical reaction
Chemical kinetics
David Buttar

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Unveiling the Molecular Structure of Antimalarial Drugs Chloroquine and Hydroxychloroquine in ...

Added to Collection on: 2021-03-24 23:48:45

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Physical sciences
Chemistry
Natural sciences
Stereochemistry
Conformational isomerism
Isomerism
Physical organic chemistry
Dimethyl sulfoxide
Nuclear magnetic resonance
Hydrogen bond

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Aalto University: New machine learning approach speeds up search for molecular conformers

Added to Collection on: 2021-04-01 11:37:30

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Physical sciences
Chemistry
Natural sciences
Theoretical chemistry
Stereochemistry
Conformational isomerism
Isomerism
Physical organic chemistry
Computational chemistry
Quantum chemistry

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AI enantioselectivity predictor set to power computational catalyst screening

Added to Collection on: 2021-05-03 13:02:48

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Physical sciences
Natural sciences
Chemistry
Organic chemistry
Chemical kinetics
Cybernetics
Learning
Machine learning
Physical organic chemistry
Artificial neural network
Cheminformatics
Catalysis
Cristina Trujillo

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Quantistry, Airbus Update: Teams Lead Research in Joint Biocatalysis Project

Added to Collection on: 2025-02-20 22:04:47

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Computational chemistry
Computational physics
Molecular modelling
Molecular dynamics
Simulation
Quantum chemistry
Multiscale modeling
Chemistry
Physical organic chemistry
The Airbus

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