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Internal rotation barriers in di-ortho-aryl substituted germanium compounds

Journal of structural chemistry, 1975, Vol.15 (4), p.605-607

1975

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Anisotropy of polarizability and stereochemical structure of some triaryl derivatives of group IV elements

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1981-10, Vol.30 (10), p.1861-1864

1981

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Dipole moments and spatial structure of some trisarylselenomethanes

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1977-02, Vol.26 (2), p.395-397

1977

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Improved stability of Y2O3 supported Ni catalysts for CO2 methanation by precursor-determined metal-support interaction

Applied catalysis. B, Environmental, 2018-12, Vol.237, p.504-512

2018

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A review of molecular representation in the age of machine learning

Wiley interdisciplinary reviews. Computational molecular science, 2022-09, Vol.12 (5), p.e1603-n/a

2022

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CO2 hydrogenation to methanol on tungsten-doped Cu/CeO2 catalysts

Applied catalysis. B, Environmental, 2022-06, Vol.306, p.121098, Article 121098

2022

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A Brief Introduction to Chemical Reaction Optimization

Chemical reviews, 2023-03, Vol.123 (6), p.3089-3126

2023

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Anti-plasmodial polyvalent interactions in Artemisia annua L. aqueous extract--possible synergistic and resistance mechanisms

PloS one, 2013-11, Vol.8 (11), p.e80790

2013

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Self-optimisation and model-based design of experiments for developing a C-H activation flow process

Beilstein journal of organic chemistry, 2017, Vol.13 (1), p.150-163

2017

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Continuous-Flow Synthesis and Derivatization of Aziridines through Palladium-Catalyzed C(sp3)−H Activation

Angewandte Chemie (International ed.), 2016-07, Vol.55 (31), p.8878-8883

International ed. in English, 2016

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Economically viable CO2 electroreduction embedded within ethylene oxide manufacturing

Energy & environmental science, 2021-01, Vol.14 (3), p.1530-1543

2021

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Investigating methane dry reforming on Ni and B promoted Ni surfaces: DFT assisted microkinetic analysis and addressing the coking problem

Catalysis science & technology, 2020-10, Vol.1 (19), p.6628-6643

2020

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From Platform to Knowledge Graph: Evolution of Laboratory Automation

JACS Au, 2022-02, Vol.2 (2), p.292-309

2022

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Chemical data intelligence for sustainable chemistry

Chemical Society reviews, 2021-11, Vol.5 (21), p.1213-1236

2021

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Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis

Chemical science (Cambridge), 2019-07, Vol.1 (27), p.6697-676

2019

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Reversible Storage of Molecular Hydrogen by Sorption into Multilayered TiO2 Nanotubes

The journal of physical chemistry. B, 2005-10, Vol.109 (41), p.19422-19427

2005

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Automation of route identification and optimisation based on data-mining and chemical intuition

Faraday discussions, 2017-09, Vol.22, p.483-496

2017

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Synthesis of Pyrrole‐2‐Carboxylic Acid from Cellulose‐ and Chitin‐Based Feedstocks Discovered by the Automated Route Search

ChemSusChem, 2024-02, Vol.17 (3), p.e202300538-n/a

2024

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Reinforcement learning optimization of reaction routes on the basis of large, hybrid organic chemistry-synthetic biological, reaction network data

Reaction chemistry & engineering, 2023-09, Vol.8 (1), p.2491-254

2023

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Solvent Selection for Mitsunobu Reaction Driven by an Active Learning Surrogate Model

Organic process research & development, 2020-12, Vol.24 (12), p.2864-2873

2020

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Closed-Loop Multitarget Optimization for Discovery of New Emulsion Polymerization Recipes

Organic process research & development, 2015-08, Vol.19 (8), p.1049-1053

2015

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Investigating CO2 Methanation on Ni and Ru: DFT Assisted Microkinetic Analysis

ChemCatChem, 2021-05, Vol.13 (10), p.2420-2433

2021

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Solar PV system with maximum power tracking

International journal of hydrogen energy, 2024-10, Vol.87, p.258-267

2024

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ORDerly: Data Sets and Benchmarks for Chemical Reaction Data

Journal of chemical information and modeling, 2024-05, Vol.64 (9), p.3790-3798

2024

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Reaction Impurity Prediction using a Data Mining Approach

Chemistry methods, 2023-06, Vol.3 (6), p.n/a

2023

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Internal rotation barriers in di-ortho-aryl substituted germanium compounds

Anisotropy of polarizability and stereochemical structure of some triaryl derivatives of group IV elements

Dipole moments and spatial structure of some trisarylselenomethanes

Improved stability of Y2O3 supported Ni catalysts for CO2 methanation by precursor-determined metal-support interaction

A review of molecular representation in the age of machine learning

CO2 hydrogenation to methanol on tungsten-doped Cu/CeO2 catalysts

A Brief Introduction to Chemical Reaction Optimization

Anti-plasmodial polyvalent interactions in Artemisia annua L. aqueous extract--possible synergistic and resistance mechanisms

Self-optimisation and model-based design of experiments for developing a C-H activation flow process

Continuous-Flow Synthesis and Derivatization of Aziridines through Palladium-Catalyzed C(sp3)−H Activation

Economically viable CO2 electroreduction embedded within ethylene oxide manufacturing

Investigating methane dry reforming on Ni and B promoted Ni surfaces: DFT assisted microkinetic analysis and addressing the coking problem

From Platform to Knowledge Graph: Evolution of Laboratory Automation

Chemical data intelligence for sustainable chemistry

Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis

Reversible Storage of Molecular Hydrogen by Sorption into Multilayered TiO2 Nanotubes

Automation of route identification and optimisation based on data-mining and chemical intuition

Synthesis of Pyrrole‐2‐Carboxylic Acid from Cellulose‐ and Chitin‐Based Feedstocks Discovered by the Automated Route Search

Reinforcement learning optimization of reaction routes on the basis of large, hybrid organic chemistry-synthetic biological, reaction network data

Solvent Selection for Mitsunobu Reaction Driven by an Active Learning Surrogate Model

Closed-Loop Multitarget Optimization for Discovery of New Emulsion Polymerization Recipes

Investigating CO2 Methanation on Ni and Ru: DFT Assisted Microkinetic Analysis

Solar PV system with maximum power tracking

ORDerly: Data Sets and Benchmarks for Chemical Reaction Data

Reaction Impurity Prediction using a Data Mining Approach

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