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2024
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Category: Catalysis
,
Working Paper
, Title:

Rapid Synthesis of Phase-Engineered Tungsten Carbide Electrocatalysts via Flash Joule Heating for High-Current-Density Hydrogen Evolution

, Authors: Amirarsalan Mashhadian, Shiwen Wu, Yun Hao, Mahdi Mosadegh, Kyeongjae Cho, Majid Minary-Jolandan, Guoping Xiong
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-tl9wv
 
Category: Analytical Chemistry
,
Working Paper
, Title:

A proof-of-principle study for δ15N measurements of aqueous dissolved nitrate and nitrite with a modified LC-IRMS interface

, Authors: Tobias Hesse, Felix Niemann, Shaista Khaliq, Daniel Köster, Julian Enss, Christian Feld, Milen Nachev, Klaus Kerpen, Maik A. Jochmann, Torsten C. Schmidt
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-d7mx0
 
Category: Catalysis
,
Working Paper
, Title:

Correlating Optical and Structural Properties of CO on Transition Metal Surfaces

, Authors: Mai-Anh Ha, Dimitar Pashov, Mark van Schilfgaarde
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-0kn9q
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Dyeing to Know: Optimizing Solvents for Nile Red Fluorescence in Microplastics Analysis

, Authors: Derek Ho, Julie Masura
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-wbf7n-v2
 
Category: Catalysis
,
Review
, Title:

Identifying and Engineering Flavin Dependent Halogenases for Selective Biocatalysis

, Authors: Jared C. Lewis
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-k5r0p-v2
 
Category: Catalysis
,
Review
, Title:

Non-noble metal driven catalysis : An exploration of the materials and applications

, Authors: Magesh Ganesan, Jeremy Krogman, Tatyana Konovalova, Leilani Lotti Diaz, Chia-Wei Hsu
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2023-v30kj-v3
 
Category: Materials Science
,
Working Paper
, Title:

Exploiting thiolate/disulfide redox couples toward large-scale electrochemical carbon dioxide capture and release

, Authors: Xiaoxin Li, Chao Deng, Rong Chen, Xu Li, Furong Xie, Zinan Wu, Yu Xie, Song Wang, Guo-Ming Weng
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-2pjxx-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Calculating Absorption and Fluorescence Spectra for Chromophores in Solution with Ensemble Franck-Condon Methods

, Authors: Ajay Khanna, Sapana Shedge, Tim Zuehlsdorff, Christine Isborn
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-ljjb9-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Ab initio electronic absorption spectra of para-nitroaniline in different solvents: intramolecular charge transfer effects

, Authors: Matheus Maximo-Canadas, Lucas Modesto-Costa, Itamar Borges Jr.
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-vlvqf-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

MolBar: A Molecular Identifier for Inorganic and Organic Molecules with Full Support of Stereoisomerism

, Authors: Nils van Staalduinen, Christoph Bannwarth
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-k40v5-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Bridging targeted (Zeno MRM-HR) and untargeted (SWATH) LC-MS in a single run for sensitive high-resolution exposomics.

, Authors: Vinicius Verri Hernandes, Benedikt Warth
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-s6sw6-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

When Do Quantum Mechanical Descriptors Help Graph Neural Networks Predict Chemical Properties?

, Authors: Shih-Cheng Li, Haoyang Wu, Angiras Menon, Kevin Spiekermann, Yi-Pei Li, William Green
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-7q438-v3
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Ab Initio Molecular Dynamics Simulations of Atmospheric Molecular Clusters Boosted by Neural Networks

, Authors: Jakub Kubečka, Daniel Ayoubi, Zeyuan Tang, Yosef Knattrup, Morten Engsvang, Haide Wu, Jonas Elm
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-fj8s9
 
Category: Nanoscience
,
Working Paper
, Title:

Facet {100} Fosters Resonance Energy Transfer in Ni/Co-doped CsPbBr3 Nanocrystals

, Authors: Suvadeep Panda, Gourab Roy, Tathamay Basu, Debashis Panda
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-vsrjz
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

AB-stacked bilayer β12–borophene as a promising anode material for alkali metal-ion batteries

, Authors: Ankita Narwal, Subhadeep Banerjee, Sandeep K. Reddy, Sharma S. R. K. C. Yamijala
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-50rgr
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Proximity-assisted screening of class A/B hybrid GPCRs

, Authors: Monika Gnatzy, Steffen Hartmann, Felix Hausch
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-fzd0s
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Developing Chlorin/Arylaminoquinazoline Conjugates with Nanomolar Activity for Targeted Photodynamic Therapy: Design, Synthesis, SAR, and Biological Evaluation

, Authors: Lubov V. Krylova, Vasilii F. Otvagin, Galina P. Gribova, Natalia S. Kuzmina, Ekaterina A. Fedotova, Ivan V. Zelepukin, Alexander V. Nyuchev, Irina V. Balalaeva, Alexey Yu. Fedorov
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-qsdbb
 
Category: Organic Chemistry
,
Working Paper
, Title:

Safe-and-Sustainable-by-Design Approach to Non-Toxic Bisphenol Polymers

, Authors: Cristiana Margarita, Paula Pierozan, Sathiyaraj Subramaniyan, Andrey Shatskiy, Darius Pakarinen, Annabelle Fritz, Emma Lundqvist, Victoria Chu, Hampus Hagelin, Ulf Norinder, Minna Hakkarainen, Oskar Karlsson, Helena Lundberg
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-j1mhc
 
Category: Physical Chemistry
,
Working Paper
, Title:

Multiconfigurational Surface Hopping: A Time-Dependent Variational Approach with Momentum-Jump Trajectories

, Authors: Guijie Li, Zhecun Shi, Lei Huang, linjun wang
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-k1nn4-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Application of the Adiabatic Connection Random Phase Approximation to Electron-Nucleus Hyperfine Coupling Constants

, Authors: Florian Bruder, Florian Weigend, Yannick J. Franzke
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-21b1k-v3
 
Category: Organic Chemistry
,
Working Paper
, Title:

Perspectives of Alkyl Introduction into Methylene-Containing Heterocycles

, Authors: Andriy Frolov, Dmytro Lebid, Eugeniy Ostapchuk, Tetiana Druzhenko, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-8cm80
 
Category: Organic Chemistry
,
Working Paper
, Title:

Arylthianthrenium salts for triplet energy transfer catalysis

, Authors: Yuan Cai, Triptesh Kumar Roy, Till J. B. Zähringer, Beatrice Lansbergen, Christoph Kerzig, Tobias Ritter
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-gq4gf
 
Category: Organic Chemistry
,
Working Paper
, Title:

Tetrafluoro(aryl)sulfanylated Bicyclopentane Crystals that Self-Destruct upon Cooling: An Organic "Cryosalient" Material

, Authors: Abbey N. Ragan, Yannick Kraemer, Subash K. Chaudhary, Onosai J. Fonoti, Gang-yu Liu, Nils Trapp, Kristie J. Koski, Cody Ross Pitts
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-752tc
 
Category: Physical Chemistry
,
Working Paper
, Title:

Mechanistic Insights into the Potentiodynamic Electrosynthesis of PEDOT Thin Films at a Polarisable Liquid|Liquid Interface

, Authors: Rob A. Lehane, Alonso Gamero-Quijano, José A. Manzanares, Micheál D. Scanlon
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-9trjb
 
Category: Physical Chemistry
,
Working Paper
, Title:

Synergistic Photoprotection: Enhanced Stability of Vulpinic Acid through Interaction with Exocellular Polysaccharides

, Authors: Tanzil Mahmud, Derek Moore, Ilya Dergachev, Henry Sun, Sergey Varganov, Matthew Tucker, Christopher Jeffrey
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-63zr5
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Dissecting Errors in Machine Learning for Retrosynthesis: A Granular Metric Framework and Transformer-Based Model for More Informative Predictions

, Authors: Arihanth Srikar Tadanki, H. Surya Prakash Rao, U. Deva Priyakumar
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-nbdtj
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Functional Aptamers in vitro Evolution for Protein-protein Interaction Blockage

, Authors: Tongxuan Wei, Qinguo Liu, Jun Li, Liqin Zhang
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-7h93h
 
Category: Catalysis
,
Working Paper
, Title:

Decarboxylative Cross-Coupling Enabled by Fe and Ni Metallaphotoredox Catalysis

, Authors: Reem Nsouli, Sneha Nayak, Venkadesh Balakrishnan, Jung-Ying Lin, Benjamin K Chi, Hannah G. Ford, Andrew Tran, Ilia A. Guzei, John Bacsa, Nicholas Armada, Fedor Zenov, Daniel J. Weix, Laura K.G. Ackerman-Biegasiewicz
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-dmfhw
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Combining Fourier Transform Ion Mobility with Charge Detection Mass Spectrometry for the Analysis of Multimeric Protein Complexes

, Authors: Kyle Juetten, James Sanders, Michael Marty, Jennifer Brodbelt
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-cbqj1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

An atomistic interpretation of the oxygen K-edge X-ray absorption spectra of layered Li-ion battery cathode materials

, Authors: Namrata Ramesh, Hrishit Banerjee, Jack E. N. Swallow, Erik Björklund, Ava Dean, Pravin Didwal, Michael Fraser, Conor M. E. Phelan, Lijin An, Jasper Singh, Jarrod Lewis, Weixin Song, Robert A. House, Andrew J. Morris, Robert S. Weatherup, Rebecca J. Nicholls
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-tmh4h
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Validating Small-Molecule Force Fields for Macrocyclic Compounds Using NMR Data in Different Solvents

, Authors: Franz Waibl, Fabio Casagrande, Fabian Dey, Sereina Riniker
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-1zxff
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

NQO1-responsive Prodrug for in Cellulo Release of Cytochalasin B as Cancer Cell-targeted Migrastatic

, Authors: Mervic D. Kagho, Katharina Schmidt, Christopher Lambert, Lili Jia, Klemens Rottner, Marc Stadler, Theresia Stradal, Philipp Klahn
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-srxfv
 
Category: Polymer Science
,
Working Paper
, Title:

A simulation study of the water ordering effect of callose

, Authors: Robinson Cortes-Huerto, Nancy C. Forero-Martinez, Pietro Ballone
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-zn0hx
 
Category: Materials Chemistry
,
Working Paper
, Title:

Enhancing cis-trans azobenzene photoisomerization in mismatching mixed-linker multivariate Zr6 MOFs.

, Authors: Carmen Rosales-Martínez, Diego López-Alcalá, Marcelo Assis, Celia Castillo-Blas, José J. Baldoví, Isabel Abánades Lázaro
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-501gn
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

First-principles study of structural, electronic, optical, and thermoelectric properties of BaTmSe2 (TM = Fe, Co, and Ni) for optoelectronic devices

, Authors: Sayada Ayesha Zia Bukhari, Khawar Ismail, Muhammad Anis Aslam, Adnan Ali Khan, Muhammad Sohail Abbas, Rashid Ahmad
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-zgq45
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Digestion-Free Absolute Quantification of Conjugated Payload from ADCs Using Middle-Down Fragmentation Mass Spectrometry

, Authors: Jiaqi Yuan, Hui Yin Tan, Yue Huang, Anton Rosenbaum
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-cwnf8
 
Category: Materials Chemistry
,
Working Paper
, Title:

Phononic Modulation of Spin-Lattice Relaxation in Molecular Qubit Frameworks

, Authors: Aimei Zhou, Denan Li, Mingshu Tan, Yanpei Lv, Simin Pang, Xinxing Zhao, Zhifu Shi, Jun Zhang, Feng Jin, Shi Liu, Lei Sun
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-db2x4
 
Category: Catalysis
,
Working Paper
, Title:

A Foundational Model for Reaction Networks on Metal Surfaces

, Authors: Santiago Morandi, Oliver Loveday, Tim Renningholtz, Sergio Pablo-García, Rodrigo A. Vargas-Hernández, Ranga Rohit Seemakurthi, Pol Sanz Berman, Rodrigo García-Muelas, Alán Aspuru-Guzik, Núria López
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-bfv3d
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Unveiling an Unexpected Branching Point in α-pinene Ozonolysis via Molecular Dynamics Guided Reaction Discovery

, Authors: huan yang, Umberto Raucci, Siddharth Iyer, Galib Hasan, Thomas Golin Almeida, Shawon Barua, Anni Savolainen, Juha Kangasluoma, Matti Rissanen, Hanna Vehkamaki, Theo Kurten
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-v2qhb
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

BuildAMol: A versatile Python toolkit for fragment-based molecular design

, Authors: Noah Kleinschmidt, Thomas Lemmin
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-q90s4
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Recycling of Bulk Polyamide 6 by Dissolution- Precipitation in CaCl2-EtOH-H2O Mixtures

, Authors: Ruben Goldhahn, Ann-Joelle Minor, Liisa Rihko-Struckmann, Siew-Wan Ohl, Patricia Pfeiffer, Claus-Dieter Ohl, Kai Sundmacher
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-8z1pm
 
Category: Polymer Science
,
Working Paper
, Title:

Nonconventional Fluorescent Non-Isocyanate Polyurethane Foams for Multipurpose Sensing Applications

, Authors: Manas Mahapatra, Maxime Bourguignon, Bruno Grignard, Marylène Vandevenne, Moreno Galleni, Christophe Detrembleur
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-kbcr5
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Spectroelectrochemical studies of TDMQ20: a potential drug against Alzheimer’s Disease

, Authors: Magdalena Wiloch, Martin Perez-Estebanez, Natalia Baran, Aranzazu Heras, Martin Jönsson-Niedziółka, Alvaro Colina
Version undefined posted 01 July 2024
Posted
Jul 01, 2024
10.26434/chemrxiv-2024-6xnfk
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Site-selective protein modification via peptide-directed proximity catalysis

, Authors: Laetitia Raynal, Joe Nabarro, Lisa Miller, Adam Dowle, Sophie Moul, Steven Johnson, Martin Fascione, Christopher Spicer
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-qskp0
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Structural Heterogeneity of the Humanised IgGk NIST Monoclonal Antibody Probed by Tandem-Trapped Ion Mobility Spectrometry and Mobility-Resolved Collision-induced Unfolding.

, Authors: Fanny C. Liu, Jusung Lee, Thais Pedrete, Erin M. Panczyk, Stuart Pengelley, Christian Bleiholder
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-7hj35-v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Microscopic deprotection mechanisms and acid loss pathways of chemically amplified photoresists for deep/extreme ultraviolet photolithography

, Authors: Hong Du, Zilin Wang, Hanshen Xin, Jie Xue, Jianhua Zhang, Haoyuan Li
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-bj8mk-v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Molecular Simulation Methods of Evaporating Electrosprayed Droplets

, Authors: Styliani Consta, Han Nguyen
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-7cp1g-v2
 
Category: Agriculture and Food Chemistry
,
Working Paper
, Title:

Predicting Multiple Taste Sensations with a Multiobjective Machine Learning Method

, Authors: Lampros Androutsos, Lorenzo Pallante, Agorakis Bompotas, Filip Stojceski, Gianvito Grasso, Dario Piga, Giacomo di Benedetto, Christos Alexakos, Athanasios Kalogeras, Konstantinos Theofilatos, Marco Agostino Deriu, Seferina Mavroudi
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2023-k3rcq-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Transforming Aryl-Tetrazines into Bioorthogonal Scissors for Systematic Cleavage of trans-Cyclooctenes

, Authors: Martin Wilkovitsch, Walter Kuba, Patrick Keppel, Barbara Sohr, Andreas Löffler, Stefan Kronister, Andres Fernandez del Castillo, Marion Goldeck, Rastislav Dzijak, Michal Rahm, Milan Vrabel, Dennis Svatunek, Jonathan Carlson, Hannes Mikula
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-gh8fz-v3
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Biophysical Methods for Attomolar Detection of Compounds Acting on Protein Oligomer States

, Authors: William Lawless, Robert Sparks, Mark Eschenfelder, Stephanie Krzypkowski, Kenyon Daniel, Wayne Guida
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-hjvh3-v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Discovery of fully synthetic FKBP12-mTOR molecular glues

, Authors: Robin C.E. Deutscher, Christian Meyners, Maximilian L. Repity, Wisely Oki Sugiarto, Jürgen Kolos, Edvaldo Maciel, Tim Heymann, Thomas M. Geiger, Stefan Knapp, Frederik Lermyte, Felix Hausch
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2023-4vb0m-v2
 
Category: Catalysis
,
Working Paper
, Title:

Indigo Formation as a Predictor of Substrate Promiscuity in Cytochrome P450 BM3 Libraries

, Authors: Donya Valikhani, Jonathan N. Besna, Olivier Rousseau, Claudèle Lemay-St-Denis, Guillaume Lamoureux, Joelle Pelletier
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-5tjrz
 
Category: Materials Chemistry
,
Working Paper
, Title:

The combination of a donor-acceptor thermally activated delayed fluorescence moiety (TADF) and a multiresonant (MR-TADF) emitting core results in outstanding electroluminescence performance

, Authors: Dongyang Chen, Hui Wang, Dianming Sun, Sen Wu, Kai Wang, Xiaohong Zhang, Eli Zysman-Colman
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-g4blr
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Ab Initio Multiple Spawning nonadiabatic dynamics with different CASPT2 flavors: A fully open-source PySpawn/OpenMolcas interface

, Authors: Lea Ibele, Arshad Memhood, Benjamin G. Levine, Davide Avagliano
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-s8z45
 
Category: Materials Chemistry
,
Working Paper
, Title:

Hybridized Local and Charge Transfer Modulated Triplet Decay Brightens Ultra-Long Circularly Polarized Afterglow and Chiral Diradical Activity

, Authors: Bo Yang, Suqiong Yan, Hui Ma, Shirong Ban, Yuan Zhang, Fanda Feng, Wei Huang
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-bvhxj-v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Rare Earth Mixed Sandwich Complexes with Tetraalkylphospholide and Cyclooctatetraenide Ligands

, Authors: Cameron Deakin, Daniel O'Neill, Ralph Adams, George Whitehead, Conrad Goodwin
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-j6gdf-v2
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Computational Approach to Assessing the Effectiveness of Passive Control in Sheet, Cloud, and Supercavitation Regimes on the NACA4412 Cambered Hydrofoil

, Authors: Prabhakar Kumar, Nidhi Sharma, Sudip K. Pattanayek, Ashish Garg
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-dz9wr
 
Category: Materials Science
,
Working Paper
, Title:

Atomistics-consistent continuum models and pore-collapse-generated hotspot temperatures in energetic crystals I: beta-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (beta-HMX)

, Authors: Yen Thi Nguyen, Chukwudubem Okafor, Puhan Zhao, Oishik Sen, Catalin R. Picu, Tommy Sewell, H. S. Udaykumar
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-q8h1q
 
Category: Materials Science
,
Working Paper
, Title:

Rapid low-cost assembly of modular microvessel-on-a-chip with benchtop xurography

, Authors: Jonathan W. Song, Shashwat S. Agarwal, Marcos Cortes-Medina, Jacob C. Holter, Alex Avendano, Joseph W. Tinapple, Joseph M. Barlage, Miles M. Menyhert, Lotanna M. Onua
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-bvslm
 
Category: Physical Chemistry
,
Working Paper
, Title:

Development and Validation of Neural Network Potentials for Multicomponent Oxide Glasses

, Authors: Ryuki Kayano, Yaohiro Inagaki, Ryuta Matsubara, Keisuke Ishida, Takahiro Ohkubo
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-hb50k
 
Category: Physical Chemistry
,
Working Paper
, Title:

Enhanced Electrochemical Oxygen Evolution Reaction Enabled by Ni Cavity-Arrayed Electrodes

, Authors: Daiki Ashizawa, Masaki Itatani, Tomohiro Fukushima, Kei Murakoshi
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-cb2sk
 
Category: Organic Chemistry
,
Working Paper
, Title:

Regiodivergent Functionalization of Protected and Unprotected Carbohydrates via an Adaptive Activating Strategy

, Authors: Shen Cao, Haobo Zhang, Mingshuo Chen, Niming Zhu, Beibei Zhan, Peng Xu, Xiaoping Chen, Biao Yu, Xiaheng Zhang
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-z5cw0
 
Category: Analytical Chemistry
,
Working Paper
, Title:

The amenability of different solvents to electrospray ionization mass spectrometry

, Authors: Charles Killeen, Antonia Kropp, Ian Chagunda, Emily Jackson, J. Scott McIndoe
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-9cqk6
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Turning on Organic Radical Emitters

, Authors: Matteo Dubbini, Federico Bonvini, Francesco Di Maiolo
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-qghqc
 
Category: Polymer Science
,
Working Paper
, Title:

Multi-Objective Synthesis Optimization and Kinetics of a Sustainable Terpolymer

, Authors: Jin Da Tan, Andre KY Low, Shannon RY Thoi, Sze Yu Tan, Wenguang Zhao, Yee-Fun Lim, Qianxiao Li, Saif A Khan, Balamurugan Ramalingam, Kedar Hippalgaonkar
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-m1q43
 
Category: Materials Chemistry
,
Working Paper
, Title:

A Facile Supramolecular Strategy to Switch Photodynamic Pathway and Augment ROS Production of Sensitizers for Enhanced Tumor Therapy

, Authors: Ruihua Guo, Han Sun, habtom gobeze, Kanyashree Jana, yingnan wu, Kirk Schanze, zhiliang li, fengling song
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-cl4pc
 
Category: Inorganic Chemistry
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Working Paper
, Title:

N-Heterocyclic Silylene-Copper(I)-Aryl Complex: Multitasking Cu(I) Synthon

, Authors: Moushakhi Ghosh, Kumar Gaurav, Prakash Panwaria, Srinu Tothadi, SHABANA KHAN
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-7rpw5
 
Category: Materials Chemistry
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Working Paper
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A Chameleon AIEgen with Quintuple yet Controllable Thermal/Photo Switch for Advanced Information Encryption

, Authors: Xinyuan He, Baochuan Hu, Xin Wang, Xing Feng, Xinyuan Wang, Jianwei Sun, Jacky W. Y. Lam, Lianrui Hu, Ben Zhong Tang
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-vj663
 
Category: Analytical Chemistry
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Working Paper
, Title:

Optical Imaging of Microfluidic Integrated Smart Hydrogels for Research and Sensing Applications

, Authors: Saeed Borooman, Simon Binder, Moritz Leber, Juan P. Botero, Jules J. Magda, Florian Solzbacher, Christopher F. Reiche, Lars B. Laurentius
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-91317
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Extension of anti-H1R allergy space candidates by computational co-evolution

, Authors: julio coll
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-qlg6v
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Facile access to heterobimetallic MII/CuI complexes with a multichelate platform and their response towards CO2RR.

, Authors: Samantha L. Peralta-Arriaga, Carlos García Bellido, Miguel Angel Martín-Neri, Francisco José Fernández-de-Córdova, Marc Robert, Orestes Rivada Wheelaghan
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-4nscw
 
Category: Nanoscience
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Working Paper
, Title:

Breaking the PFAS Chain: Piezocatalytic Decomposition of Forever Chemicals Using BaTiO3 Nanoparticles

, Authors: Andrea Veciana, Sarah Steiner, Qiao Tang, Vitaly Pustovalov, Joaquim Llacer, Jiang Wu, Xiangzhong Chen, Trust Manyiwa, Venecio J. Ultra, Beltzane Gracia-Cirera, Josep Puigmartí-Lluis, Carlos Franco, David J. Janssen, Laura Nyström, Samy Boulos, Salvador Pané
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-mtb6s
 
Category: Polymer Science
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Working Paper
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Vinylene-Linking of Polycyclic Aromatic Hydrocarbons to π-Extended Two-Dimensional Covalent Organic Frameworks Photocatalyst

, Authors: Xu Chi, Zixing Zhang, Mengqi Li, Yang Jiao, Xiaomeng Li, Fancheng Meng, Bai Xue, Dongqing Wu, Fan Zhang
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-qqzp4-v2
 
Category: Analytical Chemistry
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Working Paper
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Automated Processing of Chromatograms: A comprehensive Python Package with GUI for Intelligent Peak Identification and Deconvolution in Chemical Reaction Analysis

, Authors: Julius Hillenbrand, Jan Oboril, Christian P. Haas, Maximilian Lübbesmeyer, Rachel Nicholls, Thorsten Gressling, Klavs F. Jensen, Giulio Volpin
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-nmnzp
 
Category: Organic Chemistry
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Working Paper
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Unmasking the Reverse Catalytic Activity of ‘Ene’-Reductases for Asymmetric Carbonyl Desaturation

, Authors: Hui Wang, Bin Gao, Heli Cheng, Shixuan Cao, Xinyi Ma, Yinjuan Chen, Yuxuan Ye
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-1k5kc
 
Category: Earth, Space, and Environmental Chemistry
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Working Paper
, Title:

pKa predictions for arsonic acid derivatives. Contrasting ML and DFT-based models

, Authors: Miroslava Nedyalkova, Diana Heredia, Marco Lattuada, Joaquín Barroso-Flores
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-lkl5t
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Identification of a novel transasparaginase activity of Bacillus Subtilis (bTG) for sequence-specific bioconjugation.

, Authors: Marie Flamme, Raphael Göhring, Denise Zamarbide, Corentin Bon, Alexandra Vissières, Anne Basler, Daniela Miranda, Rainer Kneuer, Greg Mann
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-3nz28
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Exploring the Theoretical Landscape of the Hexalacunary Wells-Dawson Anion: A Comprehensive Study

, Authors: Daniel Malcolm, Laia Vilà-Nadal
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-2qfxx
 
Category: Catalysis
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Working Paper
, Title:

Construction of P-stereogenic Centres via Palladium/Chiral Norbornene Cooperative Catalysis

, Authors: Jinxiang Ye, Yiming You, Dekang Xu, Shuang Deng, Lifang Qi, Chang Liu, Cheng-Cheng Liu, Hengjiang Cong, Peng Wang, Hong-Gang Cheng, Qianghui Zhou
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-vlqfq
 
Category: Nanoscience
,
Working Paper
, Title:

Streaming Electric Field, Electroviscous Effect, and Electrokinetic Liquid Flows in the Induced Pressure-Driven Transport of Active Liquids in Narrow Capillaries

, Authors: Siddhartha Das, Ghansham Chandel
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-tlz4g
 
Category: Organic Chemistry
,
Working Paper
, Title:

Urea Ligand-Promoted Chainwalking Heteroannulation for the Synthesis of 6- and 7-membered Azaheterocycles

, Authors: Owen Monteferrante, Kaitlyn Houghtling, Aidan Kropiwnicki, Shauna Paradine
Version undefined posted 02 July 2024
Posted
Jul 02, 2024
10.26434/chemrxiv-2024-5dz98
 
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