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Inorganic Chemistry

Working Paper

A Double Bond with Weak σ- and Strong π-Interactions Is Still a Double Bond

Cina Foroutan-Nejad

Version 1 posted 28 August 2020

275

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Theoretical and Computational Chemistry

Working Paper

The Electron Localization Function in Excited States: The Case of the Ultra-Fast Proton Transfer of the Salicylidene Methylamine

Andrea Echeverri, Tatiana Gómez, Patricio Fuentealba, Boris Maulen, Carlos Cardenas

Version 1 posted 11 July 2019

545

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Theoretical and Computational Chemistry

Working Paper

Eliminating Fragment Group Orbital (eFGO) Analysis for Deciphering Chemical Bonding in Complex Systems

Jing-Xuan Zhang, Fu Kit Sheong, Yun-Shu Cui, Jun Li, Zhenyang Lin

Version 1 posted 13 March 2023

128

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Inorganic Chemistry

Working Paper

The Crystal Structure of Carbonic Acid

Sebastian Benz, Da Chen, Andreas Möller, Michael Hofmann, David Schnieders, Richard Dronskowski

Version 1 posted 01 June 2022

308

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Materials Science

Working Paper

Quantifying Atomic Volume, Partial Charge and Electronegativity in Condensed Phases

Stefano Racioppi, Per Hyldgaard, Martin Rahm

Version 1 posted 21 November 2023

123

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Materials Chemistry

Working Paper

Why Yttrium Hexaboride Exhibits a Much Higher Superconducting Tc than Near-Identical Lanthanum Hexaboride

Robert Lavroff, Julen Munarriz, Claire Dickerson, Francisco Munoz, Anastassia Alexandrova

Version 2 posted 14 September 2023

187

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Analytical Chemistry

Working Paper

Activity of metal-fluorine states upon delithiation of disordered rocksalt oxyfluorides.

Indrani Roy, Khagesh Kumar, Haifeng Li, John william Freeland, Fanny rodolakis, Jordi Cabana

Version 1 posted 30 May 2022

324

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Materials Chemistry

Working Paper

Chemical Bonding Origin of Glass Formation in Metal-Organic Frameworks

Sounak Sarkar, Thomas Bjørn Egede Grønbech, Aref Mamakhel, Martin Bondesgaard, Kunihisa Sugimoto, Eiji Nishibori, Bo Brummerstedt Iversen

Version 1 posted 01 February 2022

285

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Physical Chemistry

Working Paper

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

José Luis Casals-Sainz, Jesús Jara-Cortés, Jesús Hernández-Trujillo, José Manuel Guevara-Vela, Evelio Francisco, Angel Martín Pendás

Version 1 posted 30 April 2019

747

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Theoretical and Computational Chemistry

Working Paper

Electronegativity Equilibration

Francesco Sessa, Martin Rahm

Version 2 posted 02 June 2022

543

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Refine Search

26 results in chemical Bonding in Keywords: chemical Bonding

A Double Bond with Weak σ- and Strong π-Interactions Is Still a Double Bond

The Electron Localization Function in Excited States: The Case of the Ultra-Fast Proton Transfer of the Salicylidene Methylamine

Eliminating Fragment Group Orbital (eFGO) Analysis for Deciphering Chemical Bonding in Complex Systems

The Crystal Structure of Carbonic Acid

Quantifying Atomic Volume, Partial Charge and Electronegativity in Condensed Phases

Why Yttrium Hexaboride Exhibits a Much Higher Superconducting Tc than Near-Identical Lanthanum Hexaboride

Activity of metal-fluorine states upon delithiation of disordered rocksalt oxyfluorides.

Chemical Bonding Origin of Glass Formation in Metal-Organic Frameworks

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

Electronegativity Equilibration

26 results in Keywords: chemical Bonding