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Developing a weight-of-evidence methodology for persistence assessment of substances in the environment

Christopher B. Hughes, Megan Griffiths, Simon Cook, Dik van de Meent, John Parsons, Delina Lyon, Amelie Ott

by ChemRxiv

Multi-level QTAIM-Enriched Graph Neural Networks for Resolving Properties of Transition Metal Complexes

Santiago Vargas, Winston Gee, Anastassia Alexandrova, Abigail Doyle

by ChemRxiv

Free Energy Molecular Dynamics Analysis of pH Sensitivity in Coiled-Coil Peptide Secondary Structure

by ChemRxiv

Calculations of number-average functionality, polymerization degree, molecule weight and gel-point for stepwise polymerization

Hui Deng, Yan Han

by ChemRxiv

Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models

Qiyuan Zhao, Yunhong Han, Duo Zhang, Jiaxu Wang, Peichen Zhong, Taoyong Cui, Bangchen Yin, Yirui Cao, Haojun Jia, Chenru Duan

by ChemRxiv

Nickel-Mediated Radical Capture: Evidence for a Concerted Inner-Sphere Mechanism

Ethan Spielvogel, Jonathan Yuan, Norah Hoffmann, Tianning Diao

by ChemRxiv

Hard-wired Solid-state Bioelectronic Micropore Devices: Permanent Metal-Protein-Metal Junction Proof-of-Concept

Sudipta Bera, Eran Mishuk, Ping’an Li, Sourav Das, Sigal Keshet, Sharon Garusi, Leonid Tunik, Eran Edri, Yoram Selzer, Israel Pecht, Ayelet Vilan, Mordechai Sheves, David Cahen

by ChemRxiv

The Role of the Unusual 2-Tyr-1-carboxylate Non-heme Iron Motif in the Mechanism of N,N-Dimethylformamidase

David W. Kastner, Clorice R. Reinhardt, Husain Adamji, Terence S. Oscar-Okpala, Ilia Kevlishvili, Yuriy Román-Leshkov, Heather J. Kulik

by ChemRxiv

Synthesis of Bioorthogonal Mycolic Acids: Chemoselective Reduction of β-Ketoesters Containing a Terminal Alkyne Using the Noyori Catalyst

Paulin Rollando, Emilie Lesur, Dominique Urban, Gilles Doisneau, Dominique Guianvarc'h, Yann Bourdreux

by ChemRxiv

Time-Resolved Analysis of Protein-Protein Ensembles using a Destabilizing Domain (TRAPPED) to map dynamic interactions of SARS-CoV-2 nsp15

Crissey Cameron, R. Mason Clark, Adam M Metts, Runze M Jiang, Toya D Scaggs, Kwangho Kim, Gary A Sulikowski, Lars Plate

by ChemRxiv

Decoding Temperature-Dependent Conformer Populations and Dipole Moments in Liquid Ethylene Glycol with Classical and Machine-Learned Potentials

Anjali Gaur, Nikhil V. S. Avula, Sundaram Balasubramanian

by ChemRxiv

Catalytic Enantioselective α-Allenylation of Acetonitrile

Aditya Chakrabarty, Santanu Mukherjee

by ChemRxiv

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2025 State Politics and Policy Conference

Wed May 21 - Fri May 23 2025

by APSA Preprints

Year 11 NEW INC Creative Science

Tue May 06 - Sat May 31 2025

by Cambridge Open Engage

2025 APSA Virtual Research Meeting: Political Science Research in a Virtual World

Thu Apr 10 - Fri Apr 11 2025

by APSA Preprints

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