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Materials Science

Working Paper

Machine learning full NMR chemical shift tensors of silicon oxides with equivariant graph neural networks

Maxwell Venetos, Mingjian Wen, Kristin Persson

Version 1 posted 26 October 2022

441

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Organic Chemistry

Working Paper

Twist along Central C–C Bonds in a Series of Fully π-Fused Propellanes

Kenichi Kato, Kensaku Tanaka, Seina Okada, Tomoya Kaneda, Shunsuke Ohtani, Tomoki Ogoshi

Version 1 posted 19 July 2024

354

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Inorganic Chemistry

Working Paper

Electronic Structure of a Neodymium(III) tris(oxydiacetate) Complex from Luminescence data and ab initio Calculations

Villads R. M. Nielsen, Maxime Grasser, Sabina Svava Mortensen, Boris Le Guennic, Thomas Just Sørensen

Version 1 posted 30 May 2024

215

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Organic Chemistry

Working Paper

Quantifying Near-Symmetric Molecular Distortion Using Symmetry-Coordinate Structural Decomposition

Christopher J. Kingsbury, Mathias O. Senge

Version 1 posted 29 February 2024

286

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2

Citations

Organometallic Chemistry

Working Paper

X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes

Arun Asundi, Roel Bienenmann, Daniel Broere, Ritimukta Sarangi

Version 2 posted 03 February 2025

365

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Materials Chemistry

Working Paper

Symmetry is the key to the design of reticular frameworks

Andrea Darù, John Anderson, Davide Proserpio, Laura Gagliardi

Version 1 posted 26 September 2024

389

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Theoretical and Computational Chemistry

Working Paper

Euclidean Symmetry and Equivariance in Machine Learning

Tess Smidt

Version 1 posted 11 September 2020

1,200

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1

Citations

Physical Chemistry

Working Paper

Pressure-Induced Symmetry Changes in Body-Centered Cubic Zeolites

Antony Nearchou, Mero-Lee Cornelius, Zoe Jones, Ines E. Collings, Stephen A. Wells, Paul R. Raithby, Asel Sartbaeva

Version 1 posted 13 December 2018

591

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Theoretical and Computational Chemistry

Working Paper

Is Preservation of Symmetry Necessary for Coarse-Graining?

Maghesree Chakraborty, Jinyu Xu, Andrew White

Version 1 posted 29 November 2019

830

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Organometallic Chemistry

Working Paper

Comment on ”Crystallographic and theoretical study of the atypical distorted octahedral geometry of the metal chromophore of zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate”

Martin Lutz

Version 1 posted 04 January 2023

398

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Refine Search

14 results in Symmetry in Keywords: Symmetry

Machine learning full NMR chemical shift tensors of silicon oxides with equivariant graph neural networks

Twist along Central C–C Bonds in a Series of Fully π-Fused Propellanes

Electronic Structure of a Neodymium(III) tris(oxydiacetate) Complex from Luminescence data and ab initio Calculations

Quantifying Near-Symmetric Molecular Distortion Using Symmetry-Coordinate Structural Decomposition

X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes

Symmetry is the key to the design of reticular frameworks

Euclidean Symmetry and Equivariance in Machine Learning

Pressure-Induced Symmetry Changes in Body-Centered Cubic Zeolites

Is Preservation of Symmetry Necessary for Coarse-Graining?

Comment on ”Crystallographic and theoretical study of the atypical distorted octahedral geometry of the metal chromophore of zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate”

14 results in Keywords: Symmetry