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Physical Chemistry

Working Paper

t1-Noise Eliminated Dipolar Heteronuclear Multiple-Quantum Coherence Solid-State NMR Spectroscopy

Amrit Venkatesh, Xuechen Luan, Frédéric Perras, Ivan Hung, Wenyu Huang, Aaron Rossini

Version 1 posted 02 July 2020

435

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Materials Science

Working Paper

Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations

Rick W. Dorn, Matthew J. Ryan, Tae-Hoon Kim, Tian Wei Goh, Patrick M. Heintz, Lin Zhou, Wenyu Huang, Aaron Rossini

Version 1 posted 25 October 2019

455

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Theoretical and Computational Chemistry

Working Paper

The influence of the crystal sponge framework on guest molecule conformation

Eleanor Soper, Simon Coles, Graeme Day

Version 1 posted 12 July 2024

189

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Chemical Education

Working Paper

Do we Know the Chemical Bond?

Sebastian Kozuch

Version 1 posted 03 July 2024

464

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Physical Chemistry

Working Paper

Si6Tip6: the Largest and Most Complicated Ever Experimental Gas Phase Molecular Structure

Yury Vishnevskiy, Yannic Heider, David Scheschkewitz

Version 1 posted 21 May 2024

179

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Materials Chemistry

Working Paper

Gold-Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential

Caitlin McCandler, Antti Pihlajamäki, Sami Malola, Hannu Häkkinen, Kristin Persson

Version 1 posted 07 March 2024

369

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Physical Chemistry

Working Paper

La3+ and Y3+ interactions with the carboxylic acid moiety at the liquid/vapour interface: identification of binding complexes, charge reversal, and detection limits.

Adrien Sthoer, Sanghamitra Sengupta, Ellen Adams, Robert Corkery, Heather Allen, Eric Tyrode

Version 1 posted 19 August 2021

324

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Chemical Education

Working Paper

General Chemistry Without Orbitals

Guy Lamoureux, J. F. Ogilvie

Version 1 posted 30 April 2020

1,093

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Catalysis

Working Paper

A Structure-Based Platform for Predicting Chemical Reactivity

Frederik Sandfort, Felix Strieth-Kalthoff, Marius Kühnemund, Christian Beecks, Frank Glorius

Version 1 posted 21 October 2019

3,617

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Physical Chemistry

Working Paper

Molecular Structure of Pyrazinamide: a Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories

Arseniy A. Otlyotov, Georgiy V. Girichev, Anatolii N. Rykov, Timo Glodde, Yury Vishnevskiy

Version 1 posted 08 May 2020

427

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18 results in Molecular structure in Keywords: Molecular structure

t1-Noise Eliminated Dipolar Heteronuclear Multiple-Quantum Coherence Solid-State NMR Spectroscopy

Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations

The influence of the crystal sponge framework on guest molecule conformation

Do we Know the Chemical Bond?

Si6Tip6: the Largest and Most Complicated Ever Experimental Gas Phase Molecular Structure

Gold-Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential

La3+ and Y3+ interactions with the carboxylic acid moiety at the liquid/vapour interface: identification of binding complexes, charge reversal, and detection limits.

General Chemistry Without Orbitals

A Structure-Based Platform for Predicting Chemical Reactivity

Molecular Structure of Pyrazinamide: a Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories

18 results in Keywords: Molecular structure