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ChemRxiv: Preprint-Publikationen

Cory, Simon et al.

Recommendation System to Predict Missing Adsorption Properties of Nanoporous Materials

26.10.2021

Samuel, Genheden et al.

Prediction of the chemical context for Buchwald-Hartwig coupling reactions

26.10.2021

Attila, Tajti et al.

First-principles interpretation of electron transport though single-molecule junctions using molecular dynamics of electron attached states

26.10.2021

Daniel M., Chevrier et al.

Crystal-chemical and biological controls of trace and minor element incorporation into magnetite nanocrystals

26.10.2021

Patrick A., Julien et al.

Illuminating mechanochemical reactions by combining real-time fluorescence emission monitoring and periodic time-dependent density-functional calculations

26.10.2021

Eric, Janusson et al.

Rapid quantification of Psilocybin with reversed-phase HPLC and single-wavelength detection

26.10.2021

Matthias, Herth et al.

Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines

26.10.2021

Camille, Petit et al.

A response surface model to predict and experimentally tune the chemical, magnetic and optoelectronic properties of oxygen-doped boron nitride

26.10.2021

Miguel, Comesana-Hermo et al.

Multimodal Plasmonic Hybrids: Efficient and Selective Photocatalysts

26.10.2021

Evan, Miller et al.

Flipping the switch: reverse-demand voltage-sensitive fluorophores

26.10.2021

Nikolay, Kornienko et al.

Highly efficient water oxidation via a bimolecular reaction mechanism on rutile structured mixed-metal oxyfluorides

26.10.2021

Benoît, LIMOGES et al.

Exponential Amplification by Redox Cross-Catalysis and Unmasking of Doubly Protected Molecular Probes

26.10.2021

Upendra, Sharma et al.

Antiplasmodial diterpenoid alkaloid from Aconitum heterophyllum: Isolation, characterization, and UHPLC-DAD based quantification

26.10.2021

Benjamin, Rudshteyn et al.

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals

26.10.2021

David, Williams et al.

Ultra-high sensitivity measurement of DNA sequences with conducting polymer-modified electrodes: mechanism, large-scale manufacture, and prospects for rapid polymerase chain reaction measurement (e-PCR)

26.10.2021

Erik, Menke et al.

Measuring Attitude Towards Chemistry, Biology, and Math at a Hispanic-Serving Institution

26.10.2021

Nathalie, Tufenkji et al.

Super-bridging Fibrous Materials for Water Treatment: Impacts on Removal of Plastic Particles, Phosphorus and Natural Organic Matter

26.10.2021

Ivana, Fleischer et al.

Acetate Facilitated Nickel Catalyzed Coupling of Aryl Chlorides and Alkyl Thiols

26.10.2021

Jeremy, Luterbacher et al.

Sustainable polyesters via direct functionalization of lignocellulosic sugars

26.10.2021

Euan, Brechin et al.

An [FeIII30] molecular metal oxide

26.10.2021

Ramesh, Rasappan et al.

Direct Synthesis and Applications of Solid Silylzinc Reagents

26.10.2021

Endler Marcel, Borges et al.

Principal Component Analysis (PCA) and Statistical Tests Using Factoshiny and R Commander.

25.10.2021

Kai, Xi et al.

Microporous covalent organic frameworks for sulfur hexafluoride capture and separation

25.10.2021

Kelsey, Hatzell et al.

Polymorphism of Garnet Solid Electrolytes and Its Implications on Grain Level Chemo-Mechanics

25.10.2021

Sven, Stripp et al.

Understanding the Oxygen Sensitivity of [FeFe]-Hydrogenase: A Reactive Study of Active Site Mimics and Functional Enzyme

25.10.2021

Riina, Aav et al.

Mechanochemical Nucleophilic Substitution of Alcohols via Isouronium Intermediates

25.10.2021

Patrick, Holland et al.

Spin states, bonding and magnetism in mixed valence iron(0)–iron(II) complexes

25.10.2021

Dariusz, Szczepanik

A Crystalline Tri-thorium Cluster: When Metal σ-Aromaticity Just Isn’t Enough

25.10.2021

James, Shee et al.

Regularized Second Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Compute Cost

25.10.2021

Eli, Zysman-Colman et al.

The modelling of multi-resonant thermally activated delayed fluorescence emitters – properly accounting for electron correlation is key!

25.10.2021

Tsuyoshi , Saitoh et al.

Discovery of novel orexin receptor antagonists using a 1,3,5-trioxazatriquinans bearing multiple effective residues (TriMER) library

25.10.2021

Sidhanath Vishwanath, Bhosale et al.

Phosphonic acid appended naphthalenediimide molecular receptor for saccharides and aminoglycoside antibiotics recognition

25.10.2021

Keary, Engle et al.

Mapping Ambiphile Reactivity Trends in the Anti-(Hetero)annulation of Non-Conjugated Alkenes via Pd(II)/Pd(IV) Catalysis

25.10.2021

C. Scott, Hartley et al.

Guest-induced misfolding of a crown-ether-functionalized ortho-phenylene

25.10.2021

Alexander, Speed et al.

Efficient Synthesis and Functionalization of 3-Bromo Naphtho[2,3b]thiophene

25.10.2021

Alexander, Grenning et al.

Construction of vicinal 4°/3°-carbons via reductive Cope rearrangement

25.10.2021

Guillaume, STIRNEMANN et al.

In silico all-atom approach to thermodiffusion in dilute aqueous solutions

25.10.2021

Stephan E., Wolf et al.

Small but effective: potent light-weight additives modulate prenucleation clusters by specific interactions on the molecular level

25.10.2021

Jianhui, Huang et al.

Chiral Diamine in Small Molecule Biomimetic Asymmetric Catalysis

25.10.2021

Gaurav, Chopra et al.

Stable and Reversible Functionalization and Super-Resolution Microscopy of Live Cell Membranes

25.10.2021

Timothy, Wilson et al.

Electron Density Geometry and the Quantum Theory of Atoms in Molecules

25.10.2021

Charles, Wan et al.

A Potential–dependent Thiele Modulus to Quantify the Effectiveness of Porous Electrocatalysts

25.10.2021

Tracey, PIRALI et al.

A Reliable and Sustainable Multicomponent Access to Protein Degraders

25.10.2021

John, Fossey et al.

Enantiomer stability of atropisomeric 1,5-disubstituted 1,2,3-triazoles

25.10.2021

Yingying, Zhang et al.

Atomistically Resolved Structure of Layered Covalent Organic Frameworks

25.10.2021

Nanna, List et al.

Probing Chirality across the Electromagnetic Spectrum with the Full Semi-classical Light--Matter Interaction

25.10.2021

Zhongyue John, Yang et al.

The Effect of Zero-Point Energy in Simulating Organic Reactions with Post-Transition State Bifurcation

25.10.2021

Atsushi, Ishikawa

Combining Generative Adversarial Network and First-Principles Based Microkinetics for Heterogeneous Catalyst Design

25.10.2021

Hongjun, Fan et al.

Silylium ion Migration Dominated Hydroamidation of Siloxy-alkynes

25.10.2021

Simon, Wheeler et al.

Anion binding to a cationic europium(III) probe enables the first real-time assay of heparan sulfotransferase activity

22.10.2021

Cory, Simon et al.

Recommendation System to Predict Missing Adsorption Properties of Nanoporous Materials

26.10.2021

Samuel, Genheden et al.

Prediction of the chemical context for Buchwald-Hartwig coupling reactions

26.10.2021

Attila, Tajti et al.

First-principles interpretation of electron transport though single-molecule junctions using molecular dynamics of electron attached states

26.10.2021

Daniel M., Chevrier et al.

Crystal-chemical and biological controls of trace and minor element incorporation into magnetite nanocrystals

26.10.2021

Patrick A., Julien et al.

Illuminating mechanochemical reactions by combining real-time fluorescence emission monitoring and periodic time-dependent density-functional calculations

26.10.2021

Eric, Janusson et al.

Rapid quantification of Psilocybin with reversed-phase HPLC and single-wavelength detection

26.10.2021

Matthias, Herth et al.

Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines

26.10.2021

Camille, Petit et al.

A response surface model to predict and experimentally tune the chemical, magnetic and optoelectronic properties of oxygen-doped boron nitride

26.10.2021

Miguel, Comesana-Hermo et al.

Multimodal Plasmonic Hybrids: Efficient and Selective Photocatalysts

26.10.2021

Evan, Miller et al.

Flipping the switch: reverse-demand voltage-sensitive fluorophores

26.10.2021

Nikolay, Kornienko et al.

Highly efficient water oxidation via a bimolecular reaction mechanism on rutile structured mixed-metal oxyfluorides

26.10.2021

Benoît, LIMOGES et al.

Exponential Amplification by Redox Cross-Catalysis and Unmasking of Doubly Protected Molecular Probes

26.10.2021

Upendra, Sharma et al.

Antiplasmodial diterpenoid alkaloid from Aconitum heterophyllum: Isolation, characterization, and UHPLC-DAD based quantification

26.10.2021

Benjamin, Rudshteyn et al.

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals

26.10.2021

David, Williams et al.

Ultra-high sensitivity measurement of DNA sequences with conducting polymer-modified electrodes: mechanism, large-scale manufacture, and prospects for rapid polymerase chain reaction measurement (e-PCR)

26.10.2021

Erik, Menke et al.

Measuring Attitude Towards Chemistry, Biology, and Math at a Hispanic-Serving Institution

26.10.2021

Nathalie, Tufenkji et al.

Super-bridging Fibrous Materials for Water Treatment: Impacts on Removal of Plastic Particles, Phosphorus and Natural Organic Matter

26.10.2021

Ivana, Fleischer et al.

Acetate Facilitated Nickel Catalyzed Coupling of Aryl Chlorides and Alkyl Thiols

26.10.2021

Jeremy, Luterbacher et al.

Sustainable polyesters via direct functionalization of lignocellulosic sugars

26.10.2021

Euan, Brechin et al.

An [FeIII30] molecular metal oxide

26.10.2021

Ramesh, Rasappan et al.

Direct Synthesis and Applications of Solid Silylzinc Reagents

26.10.2021

Endler Marcel, Borges et al.

Principal Component Analysis (PCA) and Statistical Tests Using Factoshiny and R Commander.

25.10.2021

Kai, Xi et al.

Microporous covalent organic frameworks for sulfur hexafluoride capture and separation

25.10.2021

Kelsey, Hatzell et al.

Polymorphism of Garnet Solid Electrolytes and Its Implications on Grain Level Chemo-Mechanics

25.10.2021

Sven, Stripp et al.

Understanding the Oxygen Sensitivity of [FeFe]-Hydrogenase: A Reactive Study of Active Site Mimics and Functional Enzyme

25.10.2021

Riina, Aav et al.

Mechanochemical Nucleophilic Substitution of Alcohols via Isouronium Intermediates

25.10.2021

Patrick, Holland et al.

Spin states, bonding and magnetism in mixed valence iron(0)–iron(II) complexes

25.10.2021

Dariusz, Szczepanik

A Crystalline Tri-thorium Cluster: When Metal σ-Aromaticity Just Isn’t Enough

25.10.2021

James, Shee et al.

Regularized Second Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Compute Cost

25.10.2021

Eli, Zysman-Colman et al.

The modelling of multi-resonant thermally activated delayed fluorescence emitters – properly accounting for electron correlation is key!

25.10.2021

Tsuyoshi , Saitoh et al.

Discovery of novel orexin receptor antagonists using a 1,3,5-trioxazatriquinans bearing multiple effective residues (TriMER) library

25.10.2021

Sidhanath Vishwanath, Bhosale et al.

Phosphonic acid appended naphthalenediimide molecular receptor for saccharides and aminoglycoside antibiotics recognition

25.10.2021

Keary, Engle et al.

Mapping Ambiphile Reactivity Trends in the Anti-(Hetero)annulation of Non-Conjugated Alkenes via Pd(II)/Pd(IV) Catalysis

25.10.2021

C. Scott, Hartley et al.

Guest-induced misfolding of a crown-ether-functionalized ortho-phenylene

25.10.2021

Alexander, Speed et al.

Efficient Synthesis and Functionalization of 3-Bromo Naphtho[2,3b]thiophene

25.10.2021

Alexander, Grenning et al.

Construction of vicinal 4°/3°-carbons via reductive Cope rearrangement

25.10.2021

Guillaume, STIRNEMANN et al.

In silico all-atom approach to thermodiffusion in dilute aqueous solutions

25.10.2021

Stephan E., Wolf et al.

Small but effective: potent light-weight additives modulate prenucleation clusters by specific interactions on the molecular level

25.10.2021

Jianhui, Huang et al.

Chiral Diamine in Small Molecule Biomimetic Asymmetric Catalysis

25.10.2021

Gaurav, Chopra et al.

Stable and Reversible Functionalization and Super-Resolution Microscopy of Live Cell Membranes

25.10.2021

Timothy, Wilson et al.

Electron Density Geometry and the Quantum Theory of Atoms in Molecules

25.10.2021

Charles, Wan et al.

A Potential–dependent Thiele Modulus to Quantify the Effectiveness of Porous Electrocatalysts

25.10.2021

Tracey, PIRALI et al.

A Reliable and Sustainable Multicomponent Access to Protein Degraders

25.10.2021

John, Fossey et al.

Enantiomer stability of atropisomeric 1,5-disubstituted 1,2,3-triazoles

25.10.2021

Yingying, Zhang et al.

Atomistically Resolved Structure of Layered Covalent Organic Frameworks

25.10.2021

Nanna, List et al.

Probing Chirality across the Electromagnetic Spectrum with the Full Semi-classical Light--Matter Interaction

25.10.2021

Zhongyue John, Yang et al.

The Effect of Zero-Point Energy in Simulating Organic Reactions with Post-Transition State Bifurcation

25.10.2021

Atsushi, Ishikawa

Combining Generative Adversarial Network and First-Principles Based Microkinetics for Heterogeneous Catalyst Design

25.10.2021

Hongjun, Fan et al.

Silylium ion Migration Dominated Hydroamidation of Siloxy-alkynes

25.10.2021