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Category: Organic Chemistry

Predi-XY: A Python Program for Automated Generation of NICS-XY-Scans Based on an Additivity Scheme

, Authors: Alexandra Wahab, Felix Fleckenstein, Stefan Feusi, Renana Gershoni-Poranne

Version 1 posted 30 September 2020

680

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Category: Theoretical and Computational Chemistry

Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery

, Authors: Daniel Chu, David Gonzalez-Narvaez, Ralf Meyer, Aditya Nandy, Heather Kulik

Version 1 posted 13 September 2024

161

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ISSN 2573-2293 (Online) ChemRxiv Archive

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