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Theoretical and Computational Chemistry

Working Paper

Modeling LiF and FLiBe Molten Salts with Robust Neural Network Interatomic Potentials

Stephen T. Lam, Qing-Jie Li, Ronald Ballinger, Charles Forsberg, Ju Li

Version 2 posted 21 January 2021

573

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Theoretical and Computational Chemistry

Working Paper

DECIMER - Towards Deep Learning for Chemical Image Recognition

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

Version 2 posted 20 August 2020

782

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Inorganic Chemistry

Working Paper

Thermal Decomposition Mechanisms of Volatile Molybdenum(VI) Bis-Imides

Michael Land, Goran Bačić, Katherine Robertson, Seán Barry

Version 1 posted 31 May 2022

949

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Inorganic Chemistry

Working Paper

Cut-and-Pasting Ligands: The Structure/Function Relationships of a Thermally Robust Mo(VI) Precursor

Michael Land, Dexter Dimova, Katherine Robertson, Seán Barry

Version 1 posted 18 August 2022

364

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Inorganic Chemistry

Working Paper

Thermal Stability and Decomposition Pathways in Volatile Molybdenum(VI) Bis-Imides

Michael Land, Goran Bacic, Katherine Robertson, Sean Barry

Version 1 posted 06 December 2021

1,018

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Physical Chemistry

Working Paper

Uncovering Halide Mixing and Octahedral Dynamics in Vacancy-Ordered Double Perovskites by Multinuclear Magnetic Resonance Spectroscopy

Abhoy Karmakar, Srija Mukhopadhyay, Pierre Gachod, Arturo Gomez, Guy Bernard, Alex Brown, Vladimir Michaelis

Version 1 posted 16 March 2021

735

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Inorganic Chemistry

Working Paper

Synthesis, Characterization, and Single-Crystal X-ray Structures of d0 Refractory Metal Compounds as Precursors for the Single-Source Chemical Vapor Deposition of Metal Nitrides

Kieran Lawford, Michael Land, Eden Goodwin, Katherine Robertson, Seán Barry

Version 1 posted 16 August 2023

157

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Refine Search

7 results in Chemical structure in Keywords: Chemical structure

Modeling LiF and FLiBe Molten Salts with Robust Neural Network Interatomic Potentials

DECIMER - Towards Deep Learning for Chemical Image Recognition

Thermal Decomposition Mechanisms of Volatile Molybdenum(VI) Bis-Imides

Cut-and-Pasting Ligands: The Structure/Function Relationships of a Thermally Robust Mo(VI) Precursor

Thermal Stability and Decomposition Pathways in Volatile Molybdenum(VI) Bis-Imides

Uncovering Halide Mixing and Octahedral Dynamics in Vacancy-Ordered Double Perovskites by Multinuclear Magnetic Resonance Spectroscopy

Synthesis, Characterization, and Single-Crystal X-ray Structures of d0 Refractory Metal Compounds as Precursors for the Single-Source Chemical Vapor Deposition of Metal Nitrides

7 results in Keywords: Chemical structure