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Synonyms were used for: Chemoinformatik
Search without synonyms: keywords:("Chemoinformatik")
Used synonyms:
- chemieinformatik
- chemiinformatics
- cheminformatics
- cheminformatik
- chemoinformatics
- computational chemistry
- computerchemie
-
Visible‐Light‐Mediated Decarboxylation/Oxidative Amidation of α‐Keto Acids with Amines under Mild Reaction Conditions Using O2
Wiley | 2014|Keywords: Computerchemie -
Discovery of Key Physicochemical, Structural, and Spatial Properties of RNA‐Targeted Bioactive Ligands
Wiley | 2017|Keywords: Chemieinformatik -
Molekulares maschinelles Lernen: Die Zukunft der Synthesechemie?
Wiley | 2020|Keywords: Computerchemie -
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study
Wiley | 2019|Keywords: Computerchemie -
Bis(4‐nitraminofurazanyl‐3‐azoxy)azofurazan and Derivatives: 1,2,5‐Oxadiazole Structures and High‐Performance Energetic Materials
Wiley | 2016|Keywords: Computerchemie -
A Potassium Diboryllithate: Synthesis, Bonding Properties, and the Deprotonation of Benzene
Wiley | 2016|Keywords: Computerchemie -
Palladium‐Catalyzed Decarbonylative Borylation of Carboxylic Acids: Tuning Reaction Selectivity by Computation
Wiley | 2018|Keywords: Computerchemie -
Comment on “Crystallographic Snapshot of an Arrested Intermediate in the Biomimetic Activation of CO2”
Wiley | 2015|Keywords: Computerchemie -
Structural Revisions of a Class of Natural Products: Scaffolds of Aglycon Analogues of Fusicoccins and Cotylenins Isolated from Fungi
Wiley | 2016|Keywords: Computerchemie -
Interplay between “Neutral” and “Charge‐Transfer” Excimers Rules the Excited State Decay in Adenine‐Rich Polynucleotides
Wiley | 2011|Keywords: Computerchemie -
Treten in der N‐heterozyklischen Carben‐Organokatalyse wirklich Carbene auf?
Wiley | 2017|Keywords: Computerchemie -
Quantitative Prediction of Rate Constants for Aqueous Racemization To Avoid Pointless Stereoselective Syntheses
Wiley | 2018|Keywords: Computerchemie -
An Unexpected and Significantly Lower Hydrogen‐Bond‐Donating Capacity of Fluorohydrins Compared to Nonfluorinated Alcohols
Wiley | 2012|Keywords: Computerchemie -
Deutlich unterschiedliche Mechanismen der Wasserstoffatomabstraktion aus Methan und Wasser durch den heteronuklearen Oxidcluster [Ga2MgO4].+
Wiley | 2015|Keywords: Computerchemie -
Stereochemical Studies of the Karlotoxin Class Using NMR Spectroscopy and DP4 Chemical‐Shift Analysis: Insights into their Mechanism of Action
Wiley | 2015|Keywords: Computerchemie -
Der Fernseher in der Westentasche: Flüssigkristall‐ Materialentwicklung für das neue Jahrtausend
Wiley | 2013|Keywords: Computerchemie -
Arylsulfonylacetylenes as Alkynylating Reagents of CH Bonds Activated with Lithium Bases
Wiley | 2012|Keywords: Computerchemie -
Von Graphen und Graphenen: molekulares Design und chemische Studien aromatischer Verbindungen
Wiley | 2013|Keywords: Computerchemie -
Air Passivation of Chalcogen Vacancies in Two‐Dimensional Semiconductors
Wiley | 2016|Keywords: Computerchemie -
Toward Extreme Biophysics: Deciphering the Infrared Response of Biomolecular Solutions at High Pressures
Wiley | 2016|Keywords: Computerchemie -
Computerchemie: das Schicksal aktueller Methoden und zukünftige Herausforderungen
Wiley | 2018|Keywords: Chemoinformatik -
An Artificial Oxygenase Built from Scratch: Substrate Binding Site Identified Using a Docking Approach
Wiley | 2013|Keywords: Computerchemie -
Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction Mechanism
Wiley | 2016|Keywords: Computerchemie -
Hydrogen Bond Fluctuations Control Photochromism in a Reversibly Photo‐Switchable Fluorescent Protein
Wiley | 2016|Keywords: Computerchemie -
Consideration of Molecular Structure in the Excited State to Design New Luminogens with Aggregation‐Induced Emission
Wiley | 2019|Keywords: Computerchemie -
Combined Inhibitor Free‐Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate
Wiley | 2014|Keywords: Computerchemie -
Die Huisgen‐Reaktion: Meilensteine der 1,3‐dipolaren Cycloaddition
Wiley | 2020|Keywords: Computerchemie -
cPCET versus HAT: A Direct Theoretical Method for Distinguishing X–H Bond‐Activation Mechanisms
Wiley | 2018|Keywords: Computerchemie -
Berichtigung: A Potassium Diboryllithate: Synthesis, Bonding Properties, and the Deprotonation of Benzene
Wiley | 2020|Keywords: Computerchemie -
Hydroamination of Alkynes with Ammonia: Unforeseen Role of the Gold(I) Catalyst
Wiley | 2011|Keywords: Computerchemie -
From Olefin Metathesis Catalyst to Alcohol Racemization Catalyst in One Step
Wiley | 2012|Keywords: Computerchemie -
Computer‐gestütztes Design ionischer Flüssigkeiten zur CO2‐Absorption
Wiley | 2015|Keywords: Computerchemie -
Automated Quantum Mechanical Predictions of Enantioselectivity in a Rhodium‐Catalyzed Asymmetric Hydrogenation
Wiley | 2017|Keywords: Computerchemie -
Dihydrooxazine Oxides as Key Intermediates in Organocatalytic Michael Additions of Aldehydes to Nitroalkenes
Wiley | 2012|Keywords: Computerchemie -
Computational Ligand Design for the Reductive Elimination of ArCF3 from a Small Bite Angle PdII Complex: Remarkable Effect of a Perfluoroalkyl Phosphine
Wiley | 2014|Keywords: Computerchemie -
Autonome Entdeckung in den chemischen Wissenschaften, Teil I: Fortschritt
Wiley | 2020|Keywords: Chemoinformatik -
Enhancing Activity and Reducing Cost for Electrochemical Reduction of CO2 by Supporting Palladium on Metal Carbides
Wiley | 2019|Keywords: Computerchemie -
Force‐Induced Reversal of β‐Eliminations: Stressed Disulfide Bonds in Alkaline Solution
Wiley | 2016|Keywords: Computerchemie -
Electrostatic Origins of Linear Scaling Relationships at Bifunctional Metal/Oxide Interfaces: A Case Study of Au Nanoparticles on Doped MgO Substrates
Wiley | 2018|Keywords: Computerchemie -
Aligning Electronic and Protonic Energy Levels of Proton‐Coupled Electron Transfer in Water Oxidation on Aqueous TiO2
Wiley | 2014|Keywords: Computerchemie
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