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ChemRxiv: Preprint-Publikationen

Nahoko Kuroki · Yuki Suzuki et al.

Ultrafast Realization of Ionic Liquids with Excellent CO2 Absorption: A trinity study of machine learning, synthesis, and precision measurement

Keary Engle · Omar Apolinar et al.

Three-Component Asymmetric Ni-Catalyzed 1,2-Dicarbofunctionalization of Unactivated Alkenes via Stereoselective Migratory Insertion

Jonathan Quinson · Olivia Aalling-Frederiksen et al.

Surfactant-free colloidal syntheses of gold-based nanomaterials in alkaline water and mono-alcohol mixtures

Olexandr Isayev · Zhen Liu et al.

Auto3D: Automatic Generation of the Low-energy 3D Structures with ANI Neural Network Potentials

David Zee · Christopher Singer et al.

Chemical Shift Standards for 199Hg NMR Spectroscopy, Twenty-Five Years Later

Alex Brown · Nathanael J. King

The Intermolecular Interactions of Pyrene and its Oxides in Toluene Solution

Daniel Rettenwander · Verena Reisecker et al.

The impact of pulsed current waveforms on Li dendrite initiation and propagation in solid-state Li batteries

Julien Gautrot · Lan Chang et al.

The Architecture of Oligonucleotide-Polycationic Brush Complexes - A Neutron Reflectometry Study

Kenji Setoura · Mamoru Tamura et al.

Plasmonic Nanoscale Temperature Shaping on a Single Titanium Nitride Nanostructure

Michael Ross · Maria Fonseca Guzman et al.

Plasmon Manipulation by Post-Transition Metal Alloying

Diego Masone · Ary Lautaro Di Bartolo et al.

Enhanced Expansion and Reduced Kiss-and-Run Events in Fusion Pores Steered by Synaptotagmin-1 C2B Domains

Jinkun Men · Guohua Chen et al.

Multi-hazard Coupling Effects in Chemical Process Industry-Technical Report

Takaya Ogawa · Taiyo Taniuchi et al.

High inorganic content with percolated structure in pore-filling membrane: Platform for functional membranes based on zirconium phosphate

Matthew Sigman · Jordan Dotson et al.

Data-driven multi-objective optimization tactics for catalytic asymmetric reactions

Joe Willis · Adam J. Jackson et al.

Computational prediction and experimental realisation of earth abundant transparent conducting oxide Ga-doped ZnSb2O6

Eli Zysman-Colman · Merve Karaman et al.

Ionic Multi-Resonant Thermally Activated Delayed Fluorescence Emitters for Light Emitting Electrochemical Cells

David Wragg · Jonas Sottmann et al.

5D Total Scattering Computed Tomography Reveals the Full Reaction Mechanism of a bismuth vanadate lithium ion battery anode

Adam Nelson · Samuel Griggs et al.

Discovery of photocatalytic reactions enabled by high-throughput experimentation

George W. Huber · Houqian Li et al.

Expanding Plastics Recycling Technologies: Chemical Aspects, Technology Status and Challenges

Cory Simon · Gbenga Fabusola et al.

A toy model of a catalytic filter in series with a gas sensor

Yunhui Ge · Hannah Baumann et al.

Absolute Binding Free Energy Calculations for Buried Water Molecules

Joseph Genereux · Guy Quanrud et al.

Cellular Exposure to Chloroacetanilide Herbicides Induces Distinct Protein Destabilization Profiles

Gregory B. Kharas · Juliana M. Agaiby et al.

Synthesis and styrene copolymerization of novel ring-monosubstituted tert-butyl phenylcyanoacrylates

Peng Yi · Shahin Ahmed Sujon

Passive Permeate-Side-Heated Solar Thermal Membrane Distillation: Single-Stage Tubular and Multistage Planar Systems

Marek Majewski · Zujhar Singh et al.

Copper(I) Donor-Chromophore-Acceptor Assembly for Light-Driven Oxidation on a Zinc Oxide Nanowire Electrode

Yuanqi Du · Xian Liu et al.

ChemSpacE: Toward Steerable and Interpretable Chemical Space Exploration

Jiaqi Lu · David Korenchan et al.

Limits of the quantum cognition hypothesis: 31P singlet order lifetimes of pyrophosphate from experiment and simulation

Zehao Sun · Runze Liu et al.

Emergence of layered nanoscale mesh networks through intrinsic molecular confinement self-assembly

Sidney Creutz · Daniel Zilevu et al.

Solution-Phase Synthesis of the Chalcogenide Perovskite Barium Zirconium Sulfide as Colloidal Nanomaterials

Juan Mangas-Sanchez · Christian Ascaso-Alegre et al.

Stereoselective three-step one-pot cascade combining amino- and biocatalysis to access chiral γ-nitro alcohols

Jun-Jian Shen · Wen-Wen Yang

Recent Advances in Multiple Heterohelicenes

Xin Li · Xiaobing Cao et al.

Preparation and application of cellulose-based hydrogels derived from bamboo

Hannes Mikula · Patrick Keppel et al.

Tetrazine-Triggered Bioorthogonal Cleavage of trans-Cyclooctene-Caged Phenols Using a Minimal Self-Immolative Linker Strategy

Peng Wu · Yang Gu et al.

Origins of the Selective C−S Bond Formation by the Non-Heme Iron EgtB

Oleg G. Salnikov · Ivan A. Trofimov et al.

Parahydrogen and Radiofrequency Amplification by Stimulated Emission of Radiation Induce Through-Space Multinuclear NMR Signal Enhancement

Mahendra Singh · Jacob Kongsted et al.

Differential Molecular Interactions of Telmisartan: Molecular-Level Insights from Spectral and Computational Studies

Yufei Ge · Weitang Li et al.

Computational Method for Evaluating the Thermoelectric Power Factor for Organic Materials Modeled by Holstein Model: A Time-Dependent Density Matrix Renormalization Group Formalism

Jun Li · Yang Liu

Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Small Molecular Systems

Shubin Liu

Quantifying energetic information in density functional theory

Courtney Roberts · Brylon Denman et al.

Superseding Substrate Control with Catalyst Control to Improve Regioselectivity in Aryne Annulations

Brandi Cossairt · Micaela Homer et al.

Photoinduced charge transfer from quantum dots measured by cyclic voltammetry

Fernanda Duarte · Tom Young et al.

Reaction dynamics of Diels-Alder reactions from machine learned potentials

Supratik Sen Mojumdar · Bibhu Ranjan Sarangi et al.

Lysozyme protected Cu Nano-Cluster: A Photo Switch for the Selective Sensing of Iron (Fe2+)

Michael Nolan · Arbresha Muriqi

Role of Titanium and Organic Precursors in Molecular Layer Deposition of “Titanicone” Hybrid Materials

Georg Manolikakes · Sara-Cathrin Krieg et al.

Stereoselective Synthesis of 2-Oxyenamides

Koen Vercruysse · Venise Govan et al.

Appearing as eumelanin or as pheomelanin and the push towards eumelanin by cysteine.

Amit Paul · Preeti Jain et al.

A new generation high-performance supercapacitor engaging redox property of solvent-electrolyte (Ionic Liquid)

Abdulrahman Aldossary · Martin Head-Gordon

Non-iterative Method for Constructing Valence Antibonding Molecular Orbitals and a Molecule-adapted Minimum Basis.

Marco Gibaldi · Ohmin Kwon et al.

The HEALED SBU library of chemically realistic building blocks for construction of hypothetical metal-organic frameworks