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ChemRxiv: Preprint-Publikationen

Martin Nielsen · Shoubhik Das et al.

Versatile CO2 hydrogenation-dehydrogenation catalysis with Ru-PNP/ionic liquid system

Amanda Schramm Petersen · Kim Degn Jensen et al.

Modelling Anion Poisoning during Oxygen Reduction on Pt Near-Surface Alloys

Gregory A Ross · Chao Lu et al.

The maximal and current accuracy of rigorous protein-ligand binding free energy calculations

Julien Boixel · Marie Barale et al.

Non-destructive all-optical readout through photoswitching of intramolecular excimer emission

Sacha Fop · Riccardo Vivani et al.

Anhydrous Superprotonic Conductivity in the Zirconium Acid Triphosphate ZrH5(PO4)3

Hiroshi Abe · Naoko Abe et al.

Cap analogs with a hydrophobic photocleavable tag enable facile purification of fully capped mRNA with various cap structures.

Benoît Limoges · Véronique Balland et al.

Impact of reversible proton insertion on the electrochemistry of electrode materials operating in mild aqueous electrolytes: a case study with TiO2

Jan H. Jensen · Nicolai Ree et al.

What the Heck? – Automated regioselectivity calculations of palladium-catalyzed Heckreactions using quantum chemistry

Kazeem Olanrewaju · Gary Aurand

Comparing Degradation Pattern and Mode of Scission of Cellulose in Hydrothermal System with Pattern from Matlab Simulation

Xiaohong Wu · Xiaotong Li et al.

Lithium Ferrocyanide Catholyte for High-Capacity Aqueous Redox Flow Batteries

Yufeng Gong · Diwen Yang et al.

Disclosing Environmental Ligands of hL-FABP and PPARγ: Should We Re-evaluate the Chemical Safety of Hydrocarbon Surfactants?

Paul Beales · Rashmi Seneviratne et al.

High resolution membrane structures within hybrid lipid-polymer vesicles revealed by combining x-ray scattering and electron microscopy

Tyler Sours · Ambarish Kulkarni

Predicting Structural Properties of Pure Silica Zeolites Using Deep Neural Network Potentials

Attila Tajti · Ahmed Shaalan Alag et al.

Accurate prediction of vertical ionization potentials and electron affinities from spin-component scaled CC2 and ADC(2) models

Evan Zoltan Carlson · William Chueh et al.

Selectivity of Electrochemical Ion Insertion into Manganese Dioxide Polymorphs

Evert Dhaene · Simon Coppenolle et al.

The binding affinity of monoalkyl phosphinic acid ligands towards nanocrystal surfaces

POOYA ELAHI · Elizabeth Winterholler et al.

The Influence of Sintering Condition on Microstructure, Phase Composition, and Electrochemical Performance of the Scandia- Ceria- Co-Doped Zirconia for SOFCs

Hang Zheng · Maohua Yang et al.

Uni-GBSA: An Automatic Workflow to Perform MM/GB(PB)SA Calculations for Virtual Screening

Yuuta Fujikawa · Kenta Terakado et al.

Improving reactivity of naphthalimide-based GST probe by imparting TPP cation: Development and application for live cell imaging

John Swierk · Victoria Kompanijec et al.

Controlling Product Selectivity in Oxidative Desulfurization Using an Electrodeposited Iron Film

Pietro Ballone · Nancy C. Forero-Martinez et al.

Water harvesting by thermoresponsive ionic liquids: A molecular dynamics study of the water absorption kinetics and of the role of nanostructuring

Jonathan Quinson · Sebastian Kunz et al.

Surfactant-free colloidal syntheses of precious metal nanoparticles for improved catalysts

Christoph R. Jacob · Stefanie Schürmann et al.

Accurate quantum-chemical fragmentation calculations for ion--water clusters with the density-based many-body expansion

Yunhui Ge · Hannah Baumann et al.

Absolute Binding Free Energy Calculations for Buried Water Molecules

zhen li · Kai Chang et al.

Lighting up early metastases by phosphorescence imaging

Kenichiro Itami · Ayaka Ueda et al.

Discovery of 2,6-Dihalopurines as Stomata Opening Inhibitors: Implication of an LRX-mediated H+-ATPase Phosphorylation Pathway

Maciej Szaleniec · Patrycja Wójcik et al.

Structure, mutagenesis and QM:MM modelling of 3-ketosteroid Δ1-dehydrogenase from Sterolibacterium denitrificans – the role of new membrane-associated domain and proton-relay system in catalysis

Matthias Hartlieb · Anne-Catherine Lehnen et al.

Xanthate-supported photo-iniferter (XPI)-RAFT polymerization: Facile and rapid access to complex macromolecules

Denise Slenter · M. Kutmon et al.

Discovering life’s directed metabolic (sub)paths to interpret biochemical markers using the DSMN

Maxime van der Heijden · Rik van Gorp et al.

Bottom-up design of porous electrode by combining a genetic algorithm and a pore network model

Anjun Qin · Xinyao Fu et al.

X-Yne Click Polymerization

Sungin Kim · Dohun Kang et al.

Complex ligand adsorption on 3D atomic surfaces of synthesized nanoparticles investigated by machine-learning accelerated ab initio calculation

Cassandra Pegg · Benjamin Schulz et al.

Glycosylation and the global virome

Jason S. Kahn · Brian Minevich et al.

Encoding Hierarchical 3D Architecture through Inverse Design of Programmable Bonds

Ramesh Giri · Laura M. Wickham et al.

Ni-catalyzed Regioselective Reductive 1,3-Dialkenylation of Alkenes

Nicholas Borotto · Laina Geary et al.

Improved Performance of Positive-ion mode Free Radical-Initiated Peptide Sequencing with para-TEMPO-Bz

Konstantin Khivantsev · Stoyan P. Gramatikov et al.

Direct observation of a new aluminum Lewis acid site in a zeolite

Nicholas Borotto · Katherine Graham et al.

Characterizing the Top-down Sequencing of Protein Ions Prior to Mobility Separation in a timsTOF

Frances Houle · Ramzi Massad et al.

Water oxidation by a dye-catalyst diad in natural sunlight: timing and coordination of excitations and reactions across timescales of picoseconds to hours

Karl Irikura

Physics-Guided Curve Fitting for ab Initio Diatomic Spectroscopy

Takumi Furuta · Moe Ota et al.

Dual Chalcogen-Bonding Interaction for Conformational Control of Urea

Stephen Goldup · Noel Pairault et al.

A topologically chiral catenane that is not topologically chiral

Stephen Goldup · Shu Zhang et al.

A Chiral Macrocycle for the Synthesis of Both Mechanically Planar Chiral Rotaxanes and Catenanes in Excellent Enantiopurity

Gašper Tomšič

A new approach to migraines - A review of rimegepant; its merits, synthesis, and pharmacological characteristics

Damilola Ayotunde Daramola · Samgopiraj Velraj et al.

Perovskite-based Oxidative Dehydrogenation of Ethane to Ethylene using a Solid Oxide Cell Configuration for Process Intensification

ian gould · Zeyu Yang et al.

Modulation of structure and dynamics of cardiac troponin by phosphorylation and mutations revealed by molecular dynamics simulations

Ryan Shenvi · Tucker Huffman et al.

Concise synthesis of (–)-cotylenol, a 14-3-3 PPI molecular glue

Hans Renata · Yanlong Jiang

Eleven-Step Chemoenzymatic Synthesis of Cotylenol

Ahu Gümrah DUMANLI · Tadeusz Balcerowski et al.

Hierarchical organization of structurally colored cholesteric phases of cellulose via 3-d printing

Daniel Ramsbeck · Kathrin Tan et al.

Synthesis and Structure-Activity Relationships of Pyrazole-based Inhibitors of Meprin α and β