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ChemRxiv: Preprint-Publikationen

Markus Bursch · Hagen Neugebauer et al.

Dispersion Corrected r2SCAN Based Global Hybrid Functionals: r2SCANh, r2SCAN0, and r2SCAN50

Mathias O. Senge · Karolis Norvaisa et al.

Importance of Molecular Symmetry for Enantiomeric Excess Recognition by NMR

Xiaoming Cao · P. Hu et al.

Advantages and Limitations of Hydrogen Peroxide for Direct Oxidation of Methane to Methanol at Mono-Copper Active Sites in Cu-Exchanged Zeolites

Justin Chalker · Max Worthington et al.

Modelling mercury sorption of a polysulfide coating made from sulfur and limonene

Seyfullah Kotil · Huseyin Tunc et al.

ANN-based Drug-isolate-fold-change model predicting the resistance profiles of HIV-1 protease inhibitors

Uttam Ghorai · Ashadul Adalder et al.

Electrocatalytic Oxidation of Dinitrogen to Nitric Acid via Direct Ten–Electron Transfer Using Manganese Phthalocyanine

Katrine Svane · Jan Rossmeisl

High-entropy oxides for the oxygen evolution reaction

Yohann Guillaneuf · Catherine Lefay et al.

Degradable Polystyrene via the Cleavable Comonomer Approach

Manxi Yang · Hang Hu et al.

Proteoform-selective imaging of tissues using mass spectrometry

Liuqun Gu · Meifeng Wang et al.

Imidazole Promoted Efficient Anomerization of β-D-Glucose Pentaacetate in Solid State and Reaction Mechanism

Liuqun Gu · Meifeng Wang et al.

Arylboronic Acids Catalyzed Upgrade of Glucosamines for Deoxyfructosazine and Insights on Reaction Mechanism

Ahmed El-Zohry · Bekir Türedir et al.

Ultrafast Transient Infrared for Probing Trapping States in Hybrid Perovskite Films

Giorgia La Barbera · Lars Ove Dragsted

Development of an untargeted DNA adductomics method by ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry

Marc Nicklaus · Gunther Schadow et al.

Reaction SPL - extension of a public document markup standard to chemical reactions

Henrik Kristoffersen · Jan Rossmeisl

Local order in AgAuCuPdPt high entropy alloy surfaces

Yumi Yakiyama · Minghong Li et al.

Dielectric Response of Difluorinated Sumanene Caused by the In-plane Motion

Pablo Ríos · T. Don Tilley et al.

Robust dicopper(I) µ-boryl complexes supported by a dinucleating naphthyridine-based ligand

Peter Stacko · Hana Janeková et al.

Photouncaging of Carboxylic Acids from Cyanine Dyes with Near-Infrared Light

Bryan Wong · Cameron Chevalier

HADOKEN: An Open-Source Software Package for Predicting Electron Confinement Effects in Various Nanowire Geometries and Configurations

Tomce Runcevski · Daniel Unruh et al.

Azo or Not: Crystallographic Insights into β-Naphthol Reds

Benjamin M. Adams · Daniel T. Birdsell et al.

Analytical Approaches for Porous Media Geothermal Power Calculations


Topological reference systems


A Theoretical Study of Tridentenes

Erik Menke · Jordan Chang

Measuring Attitude Towards Chemistry, Biology, and Math at a Hispanic-Serving Institution

Erik Menke · Zaher Slim

Aluminum Electrodeposition from Chloride-Rich and Chloride-Free Organic Electrolytes

Conrad Hübler

SupraFit - An Open source Qt based fitting application to determine stability constants from titration experiments

zayed alassad · Anas Abo Raed et al.

A Metal-free Multicomponent Strategy for Amidine Synthesis

Asel Sartbaeva · Antony Nearchou et al.

The structure and location of 18-crown-6 ether in zeolites RHO and ZK-5

Lena Daumann · Patrick Weis et al.

Ion mobility studies of Pyrroloquinoline Quinone Aza-Crown Ether-Lanthanide Complexes

Wolfgang Sippl · Patrik Zeyen et al.

Identification of HDAC10 Inhibitors that Modulate Autophagy-Related Proteins in Transformed Cells

Stefan Guldin · Maximiliano Jara Fornerod et al.

Enhanced structural control of soft-templated mesoporous inorganic thin films by inert processing conditions

Matthew Addicoat · Maryam Nurhuda et al.

Performance of GFN1-xTB for periodic optimization of Metal Organic Frameworks

Rajnish Kumar · Alen T Mathew et al.

N-glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study

Bryon Drown · Kevin Jooß et al.

Mapping the Proteoform Landscape of Five Human Tissues

Ryan Hili · Kimberley Chung et al.

PhOxi-Seq: Single-nucleotide resolution sequencing of N2-methylation at guanosine in RNA by photoredox catalysis

Benjamin Buckley · Tom D'Arcy

Organocatalytic Enantioselective Synthesis of Bicy-clo[2.2.2]octenones via Oxaziridinium Catalysed ortho-Hydroxylative Phenol Dearomatization

Hanadi Sleiman · Donatien de Rochambeau et al.

Orthogonal DNA barcodes enable the high-throughput screening of sequence-defined polymers

Peng Peng · Lin Yang et al.

Techno-economic Analysis of High-Temperature Thermal Energy Storage for On-Demand Heat and Power

Jean-Philip Piquemal · Pier Paolo Poier et al.

O(N) Stochastic Evaluation of Many-Body van der Waals Energies in Large Complex Systems

Matija Gatalo · Alejandro Martinez Bonastre et al.

The Importance of Chemical Activation and the Effect of Low Operation Voltage on the Performance of Pt-alloy Fuel Cell Electrocatalysts

Ragni Ofstad · Ulrike Böcker et al.

The effect of adding eggshell membrane to emulsified meat models with reduced salt in terms of structure, water-holding, and texture


Hydroxyselenylation and Tethered Silanoxyselenylation of Allylic Silanols

Norman Metanis · Zhenguang Zhao et al.

One-Pot Chemical Protein Synthesis Utilizing Fmoc-Masked Selenazolidine to Address the Redox Functionality of Human Selenoprotein F

Alexander Humeniuk · William Glover

Efficient CPU and GPU implementations of multicenter integrals over long-range operators using Cartesian Gaussian functions

Navneet Bung · Sowmya Ramaswamy Krishnan et al.

An explainable multi-parameter optimization approach for de novo drug design against proteins from central nervous system

Kin Israel Notarte · Mark Tristan Quimque et al.

Flavonoids from Uvaria alba attenuate LPS-induced inflammatory responses by suppressing NF-κB activation in RAW 264.7 macrophages: In silico and in vitro perspectives

V. Faye McNeill · Richard Corsi et al.

Room-Level Ventilation in Schools and Universities

Pavel Buslaev · Noora Aho et al.

Scalable Constant pH Molecular Dynamics in GROMACS

Navneet Bung · Sarveswara Rao Vangala et al.

An Interpretable Machine Learning model for Selectivity of Small Molecules against Homologous Protein Family

Stephen Dale · Tim Gould

Poisoning density functional theory with benchmark sets of difficult systems