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Theoretical and Computational Chemistry

Working Paper

The AABBA Graph Kernel: Atom–Atom, Bond–Bond, and Bond–Atom Autocorrelations for Machine Learning

Lucía Morán-González, Jørn Eirik Betten, Hannes Kneiding, David Balcells

Version 2 posted 02 September 2024

564

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Catalysis

Working Paper

Alloxazine-Based Ligands And Their Ruthenium Complexes As NADH Oxidation Catalysts And G4 Binders

Maria Jesus Móran Plata, Laura Marretta, Lander Gaztelumendi, German Eduardo Pieslinger, Romina Carballo, Elixabete Rezabal, Giampaolo Barone, Virginia Martinez-Martinez, Alessio Terenzi, Luca Salassa

Version 2 posted 18 July 2024

192

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Biological and Medicinal Chemistry

Working Paper

Thiourea and Guanidine Compounds and their Iridium Complexes in Drug-Resistant Cancer Cell Lines: Structure-Activity Relationships and Direct Luminescent Imaging

Samuel J. Thomas, Barbora Balonova, Jindrich Cinatl, Mark Wass, Christopher Serpell, Barry Blight, Martin Michaelis

Version 1 posted 11 July 2019

786

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Inorganic Chemistry

Working Paper

Metal Complexes as Antifungals? – From a Crowd-Sourced Compound Library to First In Vivo Experiments

Angelo Frei, Alysha G. Elliott, Alex Kan, Hue Dinh, Stefan Braese, Alice E. Bruce, Mitchell R. Bruce, Feng Chen, Dhirgam Humaidy, Nicole Jung, A. Paden King, Peter G. Lye, Hanna K. Maliszewska, Ahmed M. Mansour, Dimitris Matiadis, María Paz Muñoz, Tsung-Yu Pai, Shyam Pokhrel, Peter J. Sadler, Marina Sagnou, Michelle Taylor, Justin J. Wilson, Dean Woods, Johannes Zuegg, Wieland Meyer, Amy K. Cain, Matthew A. Cooper, Mark A. T. Blaskovich

Version 1 posted 23 May 2022

501

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Analytical Chemistry

Working Paper

Novel β-Cyclodextrin Functionalized Core-Shell Fe3O4 Magnetic Nanoparticles for the Removal of Toxic Metals from Water

Babak Kaboudin, Torabi Momen, Foad Kazemi, Priyanka Ray

Version 1 posted 02 June 2021

488

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1

Citations

Inorganic Chemistry

Working Paper

Mechanosynthesis and Photophysics of Colour-tunable Photoluminescent Group 13 Metal Complexes with Sterically Demanding 3,5-di-tert-butyl Substituted Salen and Salophen Ligands

Felix Leon, Chenfei Li, Javier F. Reynes, Varun K. Sigh, Lian Xiao, How Chee Ong, Gavin Hum, Handong Sun, Felipe Garcia

Version 1 posted 24 May 2022

305

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1

Citations

Inorganic Chemistry

Working Paper

Color-tunable and high quantum-yield luminescence from a biomolecule-inspired single species emitter of white light

Fatmah Mish Ebrahim, Maria Fumanal, Andrzej Gladysiak, Ozge Kadioglu, Kevin Jablonka, Daniele Ongari, Amber Mace, Serhii Shyshkanov, Seryio Saris, Christopher Ireland, Paul Dyson, Kyriakos Stylianou, Berend Smit

Version 1 posted 27 August 2021

353

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Inorganic Chemistry

Working Paper

ELECTRUM: An Electron Configuration-based Universal Metal Fingerprint for Transition Metal Compounds

Angelo Frei, Markus Orsi

Version 1 posted 17 October 2024

184

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Theoretical and Computational Chemistry

Working Paper

DART: Unlocking Coordination Chemistry Beyond the Cambridge Structural Database

Cian Clarke, Timo Sommer, Felix Kleuker, Max García-Melchor

Version 1 posted 24 October 2024

159

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Biological and Medicinal Chemistry

Working Paper

Antiadhesive glycoconjugate metal complexes targeting pathogens Pseudomonas aeruginosa and Candida albicans

Karolina Wojtczak, Emilie Gillon, Diana Bura, Karen Richmond, Megan Joyce, Emma Caraher, Keela Kessie, Trinidad Velasco-Torrijos, Cristina Trujillo, Anne Imberty, Kevin Kavanagh, Gordon Cooke, Joseph P. Byrne

Version 1 posted 14 November 2024

67

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Refine Search

10 results in Metal complexes in Keywords: Metal complexes

The AABBA Graph Kernel: Atom–Atom, Bond–Bond, and Bond–Atom Autocorrelations for Machine Learning

Alloxazine-Based Ligands And Their Ruthenium Complexes As NADH Oxidation Catalysts And G4 Binders

Thiourea and Guanidine Compounds and their Iridium Complexes in Drug-Resistant Cancer Cell Lines: Structure-Activity Relationships and Direct Luminescent Imaging

Metal Complexes as Antifungals? – From a Crowd-Sourced Compound Library to First In Vivo Experiments

Novel β-Cyclodextrin Functionalized Core-Shell Fe3O4 Magnetic Nanoparticles for the Removal of Toxic Metals from Water

Mechanosynthesis and Photophysics of Colour-tunable Photoluminescent Group 13 Metal Complexes with Sterically Demanding 3,5-di-tert-butyl Substituted Salen and Salophen Ligands

Color-tunable and high quantum-yield luminescence from a biomolecule-inspired single species emitter of white light

ELECTRUM: An Electron Configuration-based Universal Metal Fingerprint for Transition Metal Compounds

DART: Unlocking Coordination Chemistry Beyond the Cambridge Structural Database

Antiadhesive glycoconjugate metal complexes targeting pathogens Pseudomonas aeruginosa and Candida albicans

10 results in Keywords: Metal complexes