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ChemRxiv: Preprint-Publikationen

Syed Masood, Husain et al.

Asymmetric Synthesis of Nodulones C & D by Chemoenzymatic Approach gives Insight into their Biosynthesis

Reece W., Lewis et al.

Signal responsive transient coacervation in complex coacervate core micelles

Thomas, Hackl et al.

Determination of the Geographical Origin of Hazelnuts (Corylus avellana L.) by Near-Infrared Spectroscopy (NIR) and a Low-Level Fusion with Nuclear Magnetic Resonance (NMR)

Carsten, Streb et al.

Multifunctional Polyoxometalate-Platforms for Supramolecular Light-driven Hydrogen Evolution

Henry, van den Bedem et al.

AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High Throughput Screens

Ruikang, Zhang et al.

Preparation of LDO@TiO2 core-shell nanosheets for enhanced photocatalytic degradation of organic pollutions

Daniel, Schwalbe-Koda et al.

Data-driven design of bi-selective OSDAs for intergrowth zeolites

Sébastien, Laulhé et al.

Metal-Free Photoredox Phosphonation of C–N and C–X Bonds in Aqueous Solvent Mixtures

Sonia, Coriani et al.

Transient Absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study

Jens, Ducrée

On-Board Reagent Storage and Release by Solvent-Selective, Rotationally Opened Membranes – A Digital Twin Approach

Yafei, Wang et al.

Fast Reverse Intersystem Crossing Over 107 s-1 in Organic Emitters with Inverted Singlet-Triplet Gap via Intramolecular Through Space Charge Transfer

Timothy, Gould

Shaping student confidence and their perception of learning in undergraduate chemistry and biochemistry courses

Eric, Appel et al.

Gelation and Yielding Behavior of Polymer-Nanoparticle Hydrogels

Tang, Shidi et al.

Accelerating AutoDock VINA with GPUs

Eric R., Heller et al.

Spin crossover of thiophosgene via multidimensional heavy-atom quantum tunneling

Marc, Blétry

A new approach to optimize pH buffers

Ville, Korpelin et al.

Reducing the irreducible: Dispersed metal atoms facilitate reduction of irreducible oxides.

Matthias, Arenz et al.

The Gas diffusion electrode setup as a testing platform for evaluating fuel cell catalysts: a comparative RDE-GDE study

Meema, Bhati et al.

Lowering the C-H Bond Activation Barrier of Methane Using SAC@Cu(111): A Periodic DFT Investigations

Hao, Tian et al.

Explore protein conformational space with variational autoencoder

David, Michaelis et al.

Medium and Large N-Heterocycle Formation via Allene Hydroami-nation with a Bimetallic Rh(I) Catalyst

Zhongyue, Yang et al.

Entropic Path Sampling: Computational Protocol to Evaluate Entropic Profile along a Reaction Path

James, Shee et al.

Caught in the act: Observation of the solvent response triggered by excited-state proton transfer in real time

Sehr, Naseem-Khan et al.

Improvement of the Gaussian Electrostatic Model by Separate Fitting of Coulomb and Exchange-Repulsion Densities and Implementation of a new Dispersion term

Chaoren, Shen et al.

In silico investigation of ligand-regulated palladium-catalysed formic acid dehydrative decomposition under acidic conditions

J. Axel, Zeitler et al.

Measuring solute concentration with terahertz time-domain spectroscopy in single and multiphase systems

José L., Medina-Franco et al.

Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets

Esther, Heid et al.

EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates

Ozlem, Tastan Bishop et al.

Novel dynamic residue network analysis approaches to study homodimeric allosteric modulation in SARS-CoV-2 Mpro and in its evolutionary mutations

Julia, Kalow et al.

Chemoselective nickel-catalyzed coupling through substrate photoexcitation

Debajeet K., BORA et al.

Fast Sonochemical Exfoliation of Hematene type Sheets and Flakes from Hematite Nanoarchitectures Shows Enhanced Photocurrent Density


A Theory-guided X-ray Absorption Spectroscopy Approach for Identifying Active Sites in Atomically Dispersed Transition Metal Catalysts

Prashun, Gorai et al.

Computational Design of Thermoelectric Alloys Through Optimization of Transport and Dopability

Fraser, Hof et al.

Binding methylarginines and methyllysines as free amino acids: a comparative study of multiple supramolecular host classes

Daniel, Esposito et al.

Carbon-Negative Cement Manufacturing from Seawater-Derived Magnesium Feedstocks

Ádám, Madarász et al.

Two Faces of the Two Phase Thermodynamic Model

Arundhati, Deshmukh et al.

Bridging the Gap between H- and J-Aggregates: Classification and Supramolecular Tunability for Excitonic Band Structures in 2-Dimensional Molecular Aggregates

Trenton J., Davis et al.

Addressing Missing Data in Untargeted Metabolomics: Identifying Missingness Type and Evaluating the Impact of Imputation Methods on Experimental Replication

Vladislav, Mints et al.

Exploring the Relationship between the CO Oxidation Reaction and the Elemental Composition in Electrocatalysts with Machine Learning - a Case Study of PtRuPdRhAu High Entropy Alloys

Corey, Hopkins et al.

Discovery and characterization of benzyloxy piperidine based dopamine 4 receptor antagonists

Alexander, Howarth et al.

The DP5 Probability, Quantification and Visualisation of Structural Uncertainty in Single Molecules

Henrik, Kristoffersen et al.

Rationally Tailoring Catalysts for the CO Oxidation Reaction by Using DFT Calculations

Saltuk, Hanay et al.

Urazole as an unorthodox functional group for fabrication of anionic hydrogels and ion-exchange materials

Siarhei, Besarab et al.

Investigation of the structure and properties of ceramic materials with a rigid system of microfiltration transport pores based on basalt fibers

Axel, Zeitler et al.

Flow cell to study crystallisation processes in-situ using terahertz time-domain spectroscopy

Qin, Wan

A Computationally-Realizable Rigorous Canonical Numbering Algorithm for Chemical Graphs with its Open-Source Implementation in Rust

Hongfei, Wang et al.

Charge Induced Chi(3) Susceptibility in Interfacial Nonlinear Optical Spectroscopy Beyond the Bulk Aqueous Contributions: The Case for Silica/Water Interface

Gopi Chandra, Kaphle et al.

Unraveling Electronic Structure, Magnetic States, and Topological Phenomena in Pristine, Defected, and Strained Ti2N MXene

Justin, Lopchuk et al.

Transition metal-free photodecarboxylative amination of redox-active esters with diazirines

Pavani, Cherukupally et al.

Thermoresponsive hydrogels for atmospheric water vapor harvesting