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Physical Chemistry

Working Paper

RotGT-2023: A Benchmark Data Set of Rotational g Tensors

Yury Vishnevskiy

Version 1 posted 21 August 2023

52

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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

121

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Chemical Education

Working Paper

Do we Know the Chemical Bond?

Sebastian Kozuch

Version 1 posted 03 July 2024

265

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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

3,553

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1

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Physical Chemistry

Working Paper

Identifying Eigen-Like Hydrated Protons at Negatively Charged Interfaces

Eric Tyrode, Sanghamitra Sengupta, Adrien Sthoer

Version 1 posted 22 August 2019

576

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1

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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

410

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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

439

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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

426

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Theoretical and Computational Chemistry

Working Paper

Two Simple and Reliable Metrics of Molecular Planarity: Molecular Planarity Parameter (MPP) and Span of Deviation from Plane (SDP)

Tian Lu

Version 1 posted 08 June 2021

666

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Chemical Education

Working Paper

General Chemistry Without Orbitals

Guy Lamoureux, J. F. Ogilvie

Version 1 posted 30 April 2020

1,060

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16 results in Molecular structure in Keywords: Molecular structure

RotGT-2023: A Benchmark Data Set of Rotational g Tensors

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

Do we Know the Chemical Bond?

A Structure-Based Platform for Predicting Chemical Reactivity

Identifying Eigen-Like Hydrated Protons at Negatively Charged Interfaces

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

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

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

Two Simple and Reliable Metrics of Molecular Planarity: Molecular Planarity Parameter (MPP) and Span of Deviation from Plane (SDP)

General Chemistry Without Orbitals

16 results in Keywords: Molecular structure