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ChemRxiv: Preprint-Publikationen

Edward Sisco · Meghan G. Appley et al.

Qualitative Analysis of Real Drug Evidence using DART-MS and the Inverted Library Search Algorithm

Christian Hering-Junghans · Fabian Dankert et al.

Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phosphaWittig reagents

Antoni Riera · Guillem Loren et al.

Design and optimization of Oestrogen Receptor PROTACs based on 4-hydroxytamoxifen

Guolin Ke · Gengmo Zhou et al.

Uni-Mol: A Universal 3D Molecular Representation Learning Framework

Rory Waterman · Neil Mucha


Mario Pagliaro · Antonino Scurria et al.

CytroCell micronized cellulose enhances the structural and thermal properties of IntegroPectin cross-linked films

Jean-Claude Berthet · Liam Donnelly et al.

Zirconium-Catalysed Hydrosilylation of Esters and Depolymerisation of Polyester Plastic Waste

Tatsuya Joutsuka

Molecular Mechanism of Autodissociation in Liquid Water: Density Functional Theory Molecular Dynamics Simulations

Arindam Ghosh · Indranil Ghosh et al.

Diagonal free processing of conventional phase sensitive COSY using Filter Diagonalization Method

Yoshio Nishimoto · Stefano Battaglia et al.

Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods

Abdulrahman Y. Zamani · Hrant P. Hratchian

Assessing the performance of ΔSCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies

David Nelson · Megan Greaves et al.

On the reactions of aryl and vinyl triflates with [Ni(COD)(dppf)]

François-Xavier Coudert · Lionel Zoubritzky

CrystalNets.jl: Identification of Crystal Topologies

Ravindra Weerasooriya · Matthew Drummer Drummer et al.

Towards Metal-free Photocatalysis: Photochemical Regeneration of Organic Hydride Donors Using Phenazine-based Photosensitizers

Serge Ruccolo · Gilmar Brito et al.

Electrochemical Recycling of Adenosine Triphosphate in Biocatalytic Reaction Cascades

Sourav Banerjee · Hitendra M Patel et al.

One-Pot Two-Step Catalytic Synthesis of Rationally Designed 6-amino-2-pyridone-3,5-dicarbonitriles Enabling Anti-Cancer Bioactivity

Nicholas Corrente · Peter Ravikovitch et al.

Modeling Hydrocarbons Adsorption in Amorphous Nanoporous Carbonaceous Materials

Mark Babin · Martin DeWitt et al.

Transition State Spectroscopy of the F + NH3 Reaction

Arindam Ghosh · Subhayan Chakraborty et al.

Diffusion coefficient measurement inconsistency as a parameter to monitor structural conformational changes in biomolecules

Robin D. Allert · Karl D. Briegel et al.

Advances in nano- and microscale NMR spectroscopy using diamond quantum sensors

Hongliang Duan · Sheng Li et al.

Generation of novel Diels-Alder reactions using a generative adversarial network

Gregory B Kharas · Christian D. Etnyre et al.

Synthesis and styrene copolymerization of novel halogen, methyl, methoxy and nitro ring-substituted octyl phenylcyanoacrylates

Pichaya Pattanasattayavong · Ponart Aroonratsameruang et al.

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

Eva Schmitz · Savvina Leontakianakou et al.

Novel Function of CtXyn5A from Acetivibrio thermocellus: Dual Arabinoxylanase and Feruloyl Esterase Activity Occur in the Same Active Site

Hongliang Duan · Lujing Cao et al.

A novel application of generation model in foreseeing ‘future’ reactions

Joseph Furgal · Nai-hsuan Hu et al.

Formation of Nanostructured Silicas through the Fluoride Catalysed Self-Polymerization of Q-type Silsesquioxane Cages

Kazuhide Kamiya · Asato Inoue et al.

Ultra-high-rate CO2 reduction reactions to multicarbon products with a current density of 1.7 A/cm2 in neutral electrolytes

Takeshi Yanai · Masaya Hagai et al.

Artificial Neural Network Encoding of Molecular Wavefunction for Quantum Computing

Wolfgang Sippl · Salma Darwish et al.

Design, Synthesis and Biological Characterization of Histone Deacetylase 8 (HDAC8) Proteolysis Targeting Chimeras (PROTACs) with Anti-Neuroblastoma Activity

A. Ken Inge · Erik Svensson Grape et al.

Efficient removal of aqueous pharmaceutical pollutants by a robust anionic zirconium ellagate framework

Yuanjian Zhang · Kaiqing Wu et al.

Elucidating Electrocatalytic Oxygen Reduction Kinetics via Intermediates by Time Resolved Electrochemiluminescence

Stephen Martin · Jing Jin et al.

Neuroprotective Effects of σ2R/TMEM97 Receptor Modulators in Neuronal Model of Huntington's Disease

Ryan Gilmour · Julia Soika et al.

Organophotocatalytic N–O Bond Cleavage of Weinreb Amides: Mechanism-Guided Evolution of a PET to ConPET Plat-form

Junichiro Yamaguchi · Hikaru Nakahara

Aryl Dance Reaction of Arylheteroles

Thomas S. Teets · Yanyu Wu et al.

Cyclometalated Iridium-Coumarin Ratiometric Oxygen Sensors: Improved Signal Resolution and Tunable Dynamic Ranges

Biplab Maji · Pramod Rai et al.

Intermolecular Dearomative [4+2] Cycloaddition of Naphthalenes via Visible-Light Energy-Transfer-Catalysis

Yasunori Matsui · Shun Irii et al.

Remarkable Piezofluorochromism of an Organoboron Complex Containing [2.2]Paracyclophane

Paramvir Ahlawat

Understanding the formation of polytypes, stacking faults, and grain boundaries during crystallization of FAPbI3 perovskite

Federico Maria Vivaldi · Alberto Cerchiai et al.

Development of a colorimetric dosimeter for styrene exposure in shipyards

Bill Morandi · Julia C. Reisenbauer et al.

Late-stage diversification of indole skeletons through nitrogen atom insertion

Renana Gershoni-Poranne · Tomer Weiss et al.

Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons

Marvin Parasram · Daniel Wise et al.

Photoinduced Oxygen Transfer using Nitroarenes for the Anaerobic Cleavage of Alkenes

Sarah Reisman · Raymond F. Turro et al.

Nickel-Catalyzed Reductive Alkylation of Heteroaryl Imines

Sanjar Adilov

Molecular-Property Prediction with Sparsity

Vladimir L. Solozhenko · Samir F. Matar

Crystal chemistry and first principles devising of C4 as the simplest dense carbon allotrope

Felipe Garcia · Felix Leon et al.

Mechanosynthesis and Photophysics of Colour-tunable Photoluminescent Group 13 Metal Complexes with Sterically Demanding 3,5-di-tert-butyl Substituted Salen and Salophen Ligands

Paul Czodrowski · Sascha Jung et al.

VSFlow: an open-source ligand-based virtual screening tool

Barbara Kasprzyk-Hordern · Natalie Sims et al.

City’s infectious disease treatment with antimicrobial agents – a longitudinal one year study of antimicrobials in two cities via wastewater-based epidemiology

Qianrong Fang · Yaozu Liu et al.

A stable luminescent covalent organic framework nanosheet for sensitive molecular recognition

Sho Takamori · Pietro Cicuta et al.

DNA-Assisted Selective Electrofusion (DASE) of Escherichia coli and Giant Lipid Vesicles