Role of Liquid Hydrogen Carriers in Deeply Decarbonized Energy Systems
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journal
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August 2022 |
Liquid Organic Hydrogen Carriers: High-throughput Screening of Homogeneous Catalysts
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preprint
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February 2023 |
The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
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journal
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May 1965 |
The effect of temperature, catalyst and sterics on the rate of N-heterocycledehydrogenation for hydrogenstorage
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journal
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January 2011 |
A benchmark study of aromaticity indexes for benzene, pyridine and the diazines – I. Ground state aromaticity
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journal
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January 2022 |
Storage of Hydrogen in Reversible Aromatic Organic Liquids
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book
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March 2023 |
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
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journal
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June 2009 |
Machine Learning in Catalysis, From Proposal to Practicing
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journal
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December 2019 |
The Prospect of Hydrogen Storage Using Liquid Organic Hydrogen Carriers
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journal
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March 2019 |
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
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journal
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December 1992 |
Aromatic liquid organic hydrogen carriers for hydrogen storage and release
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journal
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August 2023 |
Reinforcement learning supercharges redox flow batteries
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journal
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August 2022 |
A prototype truck powered by hydrogen from organic liquid hydrides
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journal
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January 1985 |
Nanocrystallites-forming hierarchical porous Ni/Al2O3–TiO2 catalyst for dehydrogenation of organic chemical hydrides
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journal
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October 2011 |
Language-oriented rule-based reaction network generation and analysis: Description of RING
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journal
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October 2012 |
The Selective Hydrogenation of Derivatives of Pyrrole, Indole, Carbazole and Acridine
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journal
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June 1941 |
Language-oriented rule-based reaction network generation and analysis: Applications of RING
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journal
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November 2012 |
Reversible ammonia-based and liquid organic hydrogen carriers for high-density hydrogen storage: Recent progress
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journal
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March 2019 |
Efficient hydrogen supply through catalytic dehydrogenation of methylcyclohexane over Pt/metal oxide catalysts
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journal
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May 2010 |
Direct synthesis of formic acid from carbon dioxide by hydrogenation in acidic media
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journal
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June 2014 |
Liquid Organic Hydrogen Carriers (LOHCs): Toward a Hydrogen-free Hydrogen Economy
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journal
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December 2016 |
Dehydrogenation of Dodecahydro- N -ethylcarbazole on Pt(111)
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journal
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May 2013 |
A systematic review on green hydrogen for off-grid communities –technologies, advantages, and limitations
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journal
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June 2023 |
Thermochemical Properties and Dehydrogenation Thermodynamics of Indole Derivates
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journal
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November 2020 |
Reversible storage and release of hydrogen with LOHC: Evaluation of thermochemical data for methyl-quinolines with complementary experimental and computational methods
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journal
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June 2022 |
Recent Advances in Carbon Dioxide Hydrogenation to Methanol via Heterogeneous Catalysis
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journal
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February 2020 |
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
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conference
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November 2021 |
Language-oriented rule-based reaction network generation and analysis: Algorithms of RING
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journal
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May 2014 |
Homogeneously-catalysed hydrogen release/storage using the 2-methylindole/2-methylindoline LOHC system in molten salt-organic biphasic reaction systems
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journal
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January 2019 |
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
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journal
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May 1992 |
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
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journal
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January 1980 |
Development of dehydrogenation catalyst for hydrogen generation in organic chemical hydride method
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journal
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August 2006 |
Novel CO 2 Electrochemical Reduction to Methanol for H 2 Storage
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journal
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January 2004 |
Critical challenges towards the commercial rollouts of a LOHC-based H2 economy
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journal
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June 2023 |
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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journal
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July 2007 |
Hydrogen-storage materials for mobile applications
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book
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October 2010 |
Hydrogenation and dehydrogenation reactions of benzofuran and its derivatives (review)
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journal
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April 1976 |
Environmental and health impact assessment of Liquid Organic Hydrogen Carrier (LOHC) systems – challenges and preliminary results
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journal
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January 2015 |
OPERA models for predicting physicochemical properties and environmental fate endpoints
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journal
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March 2018 |
Parsl: Pervasive Parallel Programming in Python
- Babuji, Yadu; Foster, Ian; Wilde, Michael
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Proceedings of the 28th International Symposium on High-Performance Parallel and Distributed Computing - HPDC '19
https://doi.org/10.1145/3307681.3325400
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conference
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January 2019 |
Liquid organic hydrogen carriers
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journal
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September 2015 |
Hydrogen storage
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book
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January 2022 |
Liquid Organic Hydrogen Carriers and alternatives for international transport of renewable hydrogen
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journal
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January 2021 |
Advances and prospects in electrocatalytic hydrogenation of aromatic hydrocarbons for synthesis of “loaded” liquid organic hydrogen carriers
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journal
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April 2023 |
Energy storage in residential and commercial buildings via Liquid Organic Hydrogen Carriers (LOHC)
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journal
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January 2012 |
A future energy supply based on Liquid Organic Hydrogen Carriers (LOHC)
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journal
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January 2011 |
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
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journal
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January 2008 |
Liquid Organic Hydrogen Carriers as an efficient vector for the transport and storage of renewable energy
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journal
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December 2012 |
Temperature controlled three-stage catalytic dehydrogenation and cycle performance of perhydro-9-ethylcarbazole
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journal
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September 2012 |
Homogeneous Transition Metal Catalysis of Acceptorless Dehydrogenative Alcohol Oxidation: Applications in Hydrogen Storage and to Heterocycle Synthesis
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journal
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January 2017 |
Lower Temperature Dehydrogenation of Methylcyclohexane by Membrane-assisted Equilibrium Shift
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journal
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December 2006 |
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
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journal
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April 2017 |
The effect of substitution on the utility of piperidines and octahydroindoles for reversible hydrogen storage
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journal
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January 2008 |
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost
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journal
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May 2020 |
Inverse molecular design using machine learning: Generative models for matter engineering
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journal
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July 2018 |
ZINC 15 – Ligand Discovery for Everyone
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journal
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November 2015 |
Ab Initio Machine Learning in Chemical Compound Space
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journal
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August 2021 |
Liquid Organic Hydrogen Carriers (LOHCs) as H‐Source for Bio‐Derived Fuels and Additives Production
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journal
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March 2022 |
Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach
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journal
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April 2015 |
Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**
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journal
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September 2022 |
Toward a Hydrogen Economy: Development of Heterogeneous Catalysts for Chemical Hydrogen Storage and Release Reactions
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journal
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October 2022 |
Accelerating Communications in Federated Applications with Transparent Object Proxies
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preprint
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January 2023 |
Nitrogen-Containing Liquid Organic Hydrogen Carriers: Progress and Prospects
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journal
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May 2017 |
Off-board regeneration of ammonia borane for use as a hydrogen carrier for automotive fuel cells
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journal
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October 2012 |
Machine learning–assisted molecular design and efficiency prediction for high-performance organic photovoltaic materials
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journal
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November 2019 |
Global Methodology for Catalyst Screening and Optimization Process. Application to Mild Hydrocracking
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journal
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November 2020 |
Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17
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journal
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November 2012 |
Targeting and scheduling of standalone renewable energy system with liquid organic hydrogen carrier as energy storage
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journal
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March 2021 |
Hazard assessment of quinaldine-, alkylcarbazole-, benzene- and toluene-based liquid organic hydrogen carrier (LOHCs) systems
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journal
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January 2019 |
Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms
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journal
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June 2020 |
A modified steam-methane-reformation reaction for hydrogen production
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journal
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April 2011 |
Computational structure–activity relationships in H 2 storage: how placement of N atoms affects release temperatures in organic liquid storage materials
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journal
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January 2007 |
Hydrogen storage by liquid organic hydrogen carriers: Catalyst, renewable carrier, and technology – A review
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journal
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December 2023 |
Potential Liquid-Organic Hydrogen Carrier (LOHC) Systems: A Review on Recent Progress
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journal
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November 2020 |
Performance of Similarity Measures in 2D Fragment-Based Similarity Searching: Comparison of Structural Descriptors and Similarity Coefficients
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journal
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November 2002 |
A Review of Catalysts for Methylcyclohexane Dehydrogenation
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journal
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July 2021 |
Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
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journal
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April 1984 |
Liquid organic hydrogen carriers for transportation and storing of renewable energy – Review and discussion
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journal
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August 2018 |
Efficient evolution of hydrogen from liquid cycloalkanes over Pt-containing catalysts supported on active carbons under “wet–dry multiphase conditions”
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journal
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July 2002 |
Finding minima, transition states, and following reaction pathways on ab initio potential energy surfaces
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book
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January 2005 |
Melting Points of Potential Liquid Organic Hydrogen Carrier Systems Consisting of N-Alkylcarbazoles
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journal
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March 2016 |
A computational workflow to discover novel liquid organic hydrogen carriers and their dehydrogenation routes
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journal
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January 2020 |
Liquid Organic Hydrogen Carrier (LOHC) – Assessment based on chemical and economic properties
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journal
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March 2019 |
Liquid organic hydrogen carriers (LOHCs) – techno-economic analysis of LOHCs in a defined process chain
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journal
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January 2019 |
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
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journal
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May 2015 |
Homogeneous Catalytic System for Reversible Dehydrogenation−Hydrogenation Reactions of Nitrogen Heterocycles with Reversible Interconversion of Catalytic Species
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journal
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June 2009 |
Catalytic Generation of Hydrogen from Formic acid and its Derivatives: Useful Hydrogen Storage Materials
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journal
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May 2010 |
Deep Learning in Chemistry
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journal
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May 2019 |
Machine learning for molecular and materials science
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journal
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July 2018 |
Hydrogen storage in liquid organic heterocycles
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journal
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January 2008 |
Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab
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journal
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August 2022 |
Chemical hydrides: A solution to high capacity hydrogen storage and supply
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journal
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January 2008 |
Hydrogen liquefaction and storage: Recent progress and perspectives
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journal
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April 2023 |