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ChemRxiv: Preprint-Publikationen

Arnab Bhattacharyya · Ritambhara Dash

Structural and Optical Properties of Ni and Zn co-doped Copper Oxide nanoparticles

Mohammed Obies

A multiconfigurational approach to the electronic structure of electro-generated species of the Re2(μ- Ph2PCH2PPh2)(S2CNEt2)4 complex

Arnab Bhattacharyya · Ritambhara Dash

Role of Mn ions in altering the morphology and defects in NiO for photocatalytic and energy Storage Applications

Malik Salman Haider · Arun Kumar Mahato et al.

Biological activity In vitro, absorption, BBB penetration and tolerability of nanoformulation of BT44, a RET agonist with disease-modifying potential for the treatment of neurodegeneration

Yuan-Pin Chang · Shao-Hong Hsu et al.

Accelerated Sulfur Oxidation by Ozone on Surfaces of Single Optically Trapped Aerosol Particles

David van der Spoel · Kristian Kriz et al.

An Imbalance in the Force: The Need for Standardised Benchmarks for Molecular Simulation

Andrew Rosen · Sudarshan Vijay et al.

Free-Atom-Like d States Beyond the Dilute Limit of Single-Atom Alloys

Axel Gross

Challenges in the modelling of elementary steps in electrocatalysis

Sidney Wilkerson-Hill · Brandon Haines et al.

Programmed Heterocycle Synthesis Using Halomucononitriles as Zincke Nitrile Precursors

Hamed Abdolmaleki · Astri Bjørnetun Haugen et al.

A novel versatile nanocomposite film with outstanding piezoelectric, ferroelectric, and dielectric properties

Serena DSouza · INN Namboothiri et al.

Detection of tobacco consumers using 4-hydroxycoumarin as chromogenic agent in Konig’s reaction

kun zhang · Bo Peng et al.

Tetraalkoxysilane Assisted Self-Emulsification Templating for Mesoporous Silica Nanoparticles with Controlled Mesostructures

Pier Alexandre Champagne · Sean Larmore

Non-classical-to-classical carbocation equilibria influence the stereospecificity in the nucleophilic substitution of cyclopropylcarbinols

Pichaya Pattanasattayavong · Ponart Aroonratsameruang et al.

Enhancing Photovoltage of Silicon Photoanodes by a High Work-function Coordination Polymer

Mandira DEY · Debashree Ghosh

The Curious Case of Low-lying States in Non-linear Pol- yaromatic Hydrocarbons

Yixiang Ruan · Yiming Mo et al.

AROPS: A Framework of Automated Reaction Optimization with Parallelized Scheduling

Dan Daniel · Calvin Thenarianto et al.

Energy loss for droplets bouncing off superhydrophobic surfaces

William Wang · Chieh-Yu Pan et al.

Electrospun Polyacrylonitrile Silver Nanoparticle (PAN-AgNP) Nanocomposites as Alternative Antimicrobial Materials

Keriann Backus · Lisa Boatner et al.

CysDB: A Human Cysteine Database based on Experimental Quantitative Chemoproteomics

Sahand Emamian · Kendra Ireland et al.

X-ray Emission Spectroscopy of Single Protein Crystals Yields Insights into Heme Enzyme Intermediates

Matthias Hartlieb · Anne-Catherine Lehnen et al.

Shape matters: Highly selective Antimicrobial Bottle Brush copolymers via a one-pot RAFT polymerization approach

Theresa Stotesbury · Colin Elliott et al.

Monitoring the solid-state VIS profiles of degrading bloodstains

Steven Kiyabu · Donald Siegel et al.

New Salt Hydrates for Thermal Energy Storage

Irving Rettig · Jingtong Xu et al.

Variable Kinetic Isotope Effect Reveals Multi-step Pathway for Protonolysis of a Pt–Me Bond

Arvind Ravikumar · Jiayang (Lyra) Wang et al.

Multi-scale Methane Measurements at Oil and Gas Facilities Reveal Necessary Framework for Improved Emissions Accounting

Frankie Rawson · Jordan Potts et al.

Molecular Surface Quantification of Multi-Functionalized Gold Nanoparticles Using UV-Vis Spectroscopy Deconvolution

Esaar Naeem Butt · Johan Padding et al.

Size-modified Poisson-Nernst-Planck approach for modeling a local electrode environment in CO2 electrolysis

Rolf Müller · Carsten E. Seyfert et al.

Activity and cryo-EM structure guided biosynthetic pathway engineering yields non-natural Darobactin antibiotics with superior activity against Gram-negative pathogens

Caiming Tang · Yizhe Zhu et al.

Discovery of Iodinated Polyfluoroalkyl Acids by Nontarget Mass-Spectrometric Analysis

Colin P Pilkington · Yuval Elani et al.

A microfluidic platform for the controlled synthesis of higher-order liquid crystalline nanoparticles

Xiang Qian · Quan Yu et al.

SWIFTSIN: A High-Resolution Ion Isolation Waveform for the Miniaturized Linear ion Trap Mass Spectrometer by Coarse to Fine Excitation

Kerem Kaya

A Green and Fast Method for PEDOT: Photoinduced Step-Growth Polymerization of EDOT

Andrea Cornia · Alessio Nicolini et al.

The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven

Sijbren Otto · Kai Liu et al.

Systems Chemistry across Multiple Length Scales: Macroscopic Flow via Dissipative Co-Assemblies Featuring Transient Amides

José L. Medina-Franco · José J. Naveja-Romero et al.

ViSAS for Entering Chemical Space: Virtual Screening of Analog Series and Related Advances

Prashun Gorai · Jeffrey N. Law et al.

Upper-Bound Energy Minimization to Search for Stable Functional Materials with Graph Neural Networks

Mubarak Ali

Transition Energy, Orientation Force and Work Done in Transitional Behavior Atoms: Formulating New Principles in Thermodynamics

Johannes T. Margraf · Hyunwook Jung et al.

Machine-Learning Driven Global Optimization of Surface Adsorbate Geometries

Josh Vermaas · Daipayan Sarkar et al.

Atomistic Origins of Biomass Recalcitrance in Organosolv Pretreatment

Shinji Iida · Tomoshi Kameda

Dissociation Rate Calculation via Constant Force Molecular Simulation

Bill Morandi · Philip Boehm et al.

Rhodium-catalyzed Anti-Markovnikov Transfer Hydroiodination of Terminal Alkynes

Jianhui Wang · Minjun Wang et al.

Controlled Cationic Disordering Eliminates Irreversible Anionic Redox for High-Energy-Density Lithium Battery

Lei Jiao · Feng-Yuan Wang et al.

Functionalized Hybrid Cycloolefin Ligand as a New Solution to Ortho-Constraint in the Catellani-Type Reaction

Alexander Rettie · Pooja Vadhva et al.

Engineering Solution-Processed Non-Crystalline Solid Electrolytes for Li Metal Batteries

Frank Sainsbury · Donna McNeale et al.

Protein Cargo Encapsulation by Virus-Like Particles: Strategies and Applications

Mitsuru Ishikawa · Keita Matsumoto et al.

Polymer Relaxation Time Enhancement at Temperatures above Glass Transition Temperatures Predicted by Idealized Mode-Coupling Theory

Leon Barron · Davide Ciccarelli et al.


Shiyi Qin · Victor Zavala et al.

Capturing Molecular Interactions in Graph Neural Networks: A Case Study in Multi-Component Phase Equilibrium

Edor Uche Godwin · Ogbene Gillian Igbum

Effects of temperature and storage time on bisphenol A migration from polycarbonate bottles into water: Analysis using UV-visible spectrophotometric method.

Jixin Chen

From Particle-in-a-Box Thought Experiment to a Complete Quantum Theory?