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Physical Chemistry

Working Paper

Subverting covalency gives rise to ionic bonding in high spin states of heterodiatomics

Ishita Bhattacharjee, Debashree Ghosh, Ankan Paul

Version 1 posted 30 November 2022

102

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Materials Chemistry

Working Paper

Structures of LaH10, EuH9, and UH8 superhydrides rationalized by electron counting and Jahn-Teller distortions in a covalent cluster model

Harry Morgan, Anastassia Alexandrova

Version 2 posted 16 February 2023

331

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Inorganic Chemistry

Working Paper

Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures

Hillary Pan, Alex Ganose, Matthew Horton, Muratahan Aykol, Kristin Persson, Nils Zimmermann, Anubhav Jain

Version 2 posted 05 January 2021

1,478

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Inorganic Chemistry

Working Paper

1st Row Transition Metal Aluminylene Complexes: Preparation, Properties and Bonding Analysis

Richard Y Kong, Mark Crimmin

Version 1 posted 29 March 2021

326

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Inorganic Chemistry

Working Paper

[(MeCN)Ni(CF3)3]1– and [Ni(CF3)4]2– : Foundations Towards the Development of Trifluoromethylations at Unsupported Nickel

Scott T. Shreiber, Ida M. DiMucci, Mikhail Khrizanforov, Charles J. Titus, Dennis Nordlund, Yulia B. Dudkina, Roger E. Cramer, Yulia Budnikova, Kyle M. Lancaster, David Vicic

Version 1 posted 06 April 2020

648

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Inorganic Chemistry

Working Paper

Bismuthanylstibanes

Katherine Marczenko, Saurabh Chitnis

Version 2 posted 09 January 2020

420

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Inorganic Chemistry

Working Paper

Synthesis and Structures of Stable Pt(II) and (IV) Alkylidenes: Evidence for π-Bonding and Relativistic Stabilization

Etienne A. LaPierre, Warren Piers, Jian-Bin Li, Chris Gendy

Version 1 posted 30 November 2018

634

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Theoretical and Computational Chemistry

Working Paper

Chemical bonding and the role of node-induced electron confinement

Alistair J. Sterling, Daniel S. Levine, Abdulrahman Aldossary, Martin Head-Gordon

Version 1 posted 26 September 2023

885

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Theoretical and Computational Chemistry

Working Paper

δ-bonding and spin-orbit coupling make SrAg4Sb2 a topological insulator

Harry Morgan, William Laderer, Anastassia Alexandrova

Version 2 posted 20 November 2023

272

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Organometallic Chemistry

Working Paper

Theoretical and DFT Study of Atypical Pentanuclear [(iPr3P)Ni]5Hn (n = 4, 6, 8) Clusters: What are the Rules?

Junyang Liu, Kethya Sum, Thomas Groizard, Jean-François Halet, Samuel Johnson

Version 1 posted 22 September 2023

85

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1

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Refine Search

15 results in Bonding in Keywords: Bonding

Subverting covalency gives rise to ionic bonding in high spin states of heterodiatomics

Structures of LaH10, EuH9, and UH8 superhydrides rationalized by electron counting and Jahn-Teller distortions in a covalent cluster model

Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures

1st Row Transition Metal Aluminylene Complexes: Preparation, Properties and Bonding Analysis

[(MeCN)Ni(CF3)3]1– and [Ni(CF3)4]2– : Foundations Towards the Development of Trifluoromethylations at Unsupported Nickel

Bismuthanylstibanes

Synthesis and Structures of Stable Pt(II) and (IV) Alkylidenes: Evidence for π-Bonding and Relativistic Stabilization

Chemical bonding and the role of node-induced electron confinement

δ-bonding and spin-orbit coupling make SrAg4Sb2 a topological insulator

Theoretical and DFT Study of Atypical Pentanuclear [(iPr3P)Ni]5Hn (n = 4, 6, 8) Clusters: What are the Rules?

15 results in Keywords: Bonding