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Physical Chemistry

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Identifying Eigen-Like Hydrated Protons at Negatively Charged Interfaces

Eric Tyrode, Sanghamitra Sengupta, Adrien Sthoer

Version 1 posted 22 August 2019

591

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1

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Chemical Education

Working Paper

General Chemistry Without Orbitals

Guy Lamoureux, J. F. Ogilvie

Version 1 posted 30 April 2020

1,098

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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

3,650

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1

Citations

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

437

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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

428

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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

776

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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

191

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Theoretical and Computational Chemistry

Working Paper

Structures, energies and vibrational frequencies of the X and A states of haloacetylene cations, HCCX+ (X = F, Cl, Br, I)

Andrew S. Durden, Marco Caricato, H. Bernhard Schlegel

Version 1 posted 30 July 2024

48

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Chemical Education

Working Paper

Do we Know the Chemical Bond?

Sebastian Kozuch

Version 1 posted 03 July 2024

501

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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

456

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Refine Search

18 results in Molecular structure in Keywords: Molecular structure

Identifying Eigen-Like Hydrated Protons at Negatively Charged Interfaces

General Chemistry Without Orbitals

A Structure-Based Platform for Predicting Chemical Reactivity

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

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

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

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

Structures, energies and vibrational frequencies of the X and A states of haloacetylene cations, HCCX+ (X = F, Cl, Br, I)

Do we Know the Chemical Bond?

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

18 results in Keywords: Molecular structure