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Theoretical and Computational Chemistry

Working Paper

Oxidation States of Binary Oxides from Data Analytics of the Electronic Structure

Sergei Posysaev, Olga Miroshnichenko, Matti Alatalo, Duy Le, Talat S. Rahman

Version 1 posted 22 October 2018

670

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Energy

Working Paper

Nafion-Induced Reduction of Manganese and Its Impact on the Electrocatalytic Properties of a Highly Active MnFeNi Oxide for Bifunctional Oxygen Conversion

Dulce M. Morales, Javier Villalobos, Mariya A. Kazakova, Jie Xiao, Marcel Risch, Dulce Maria Morales Hernandez

Version 1 posted 31 May 2021

228

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Inorganic Chemistry

Working Paper

Bond Valence Sum: A Powerful Tool for Determination of Oxidation States of Metal Ions in Coordination Compounds

Tu Nguyen

Version 1 posted 19 May 2020

4,348

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1

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Inorganic Chemistry

Working Paper

δ-Bonding and Electron Localisation in Crystalline Divalent Rare Earth Arene Complexes

Ross MacKenzie, Tomáš Hajdu, John Seed, George Whitehead, Ralph Adams, Nicholas Chilton, David Collison, Eric McInnes, Conrad Goodwin

Version 2 posted 24 April 2024

1,017

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Inorganic Chemistry

Working Paper

A Vanadium Alumanyl Complex: Synthesis, Characterization, Reactivity, and Application as a Catalyst for C–H Alumanylation of Alkenes

Pavel Zatsepin, Takumi Moriyama, Chaoqi Chen, Satoshi Muratsugu, Mizuki Tada, Makoto Yamashita

Version 1 posted 29 November 2023

689

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Physical Chemistry

Working Paper

Deciphering the Cu(I):O2 to Cu(II):O2- Transition along the Binding Pathway through Computational Transient X-ray Absorption Spectra

Sheng-Yu Wang, Jun-Rong Zhang, Guoyan Ge, Weijie Hua

Version 1 posted 10 January 2025

75

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Inorganic Chemistry

Working Paper

Palladium K-edge XAS studies on Controlled Ligand Systems

Liviu Mirica, Luke Westawker, Julia R. Khusnutdinova, Rachel Wallick

Version 1 posted 27 September 2023

311

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7 results in oxidation state in Keywords: oxidation state

Oxidation States of Binary Oxides from Data Analytics of the Electronic Structure

Nafion-Induced Reduction of Manganese and Its Impact on the Electrocatalytic Properties of a Highly Active MnFeNi Oxide for Bifunctional Oxygen Conversion

Bond Valence Sum: A Powerful Tool for Determination of Oxidation States of Metal Ions in Coordination Compounds

δ-Bonding and Electron Localisation in Crystalline Divalent Rare Earth Arene Complexes

A Vanadium Alumanyl Complex: Synthesis, Characterization, Reactivity, and Application as a Catalyst for C–H Alumanylation of Alkenes

Deciphering the Cu(I):O2 to Cu(II):O2- Transition along the Binding Pathway through Computational Transient X-ray Absorption Spectra

Palladium K-edge XAS studies on Controlled Ligand Systems

7 results in Keywords: oxidation state