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coordination number

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5 results in Keywords: coordination number

Inorganic Chemistry

Mean bond-length variations in crystals for ions bonded to oxygen

Olivier Charles Gagné, Frank Christopher Hawthorne

Version 1 posted 19 September 2017

872

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Inorganic Chemistry

New theoretical insight into high coordination number complexes in actinides-centered borane

Shuxian Hu, Peng Zhang, wenli zou, ping zhang

Version 2 posted 16 March 2020

1,360

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Theoretical and Computational Chemistry

A Polarizable Cationic Dummy Metal Ion Model

Ali Rahnamoun, Kurt A. O'Hearn, Mehmet Cagri Kaymak, Zhen Li, Kenneth M. Merz, Jr., Hasan Metin Aktulga

Version 1 posted 24 January 2022

274

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Inorganic Chemistry

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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Theoretical and Computational Chemistry

Local Structure Order Parameters and Site Fingerprints for Quantification of Coordination Environment and Crystal Structure Similarity

Nils Zimmermann, Anubhav Jain

Version 1 posted 03 May 2019

655

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