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Organometallic Chemistry

Working Paper

Mechanistic Molecular Motion of Transition-Metal Mediated Beta-Hydride Transfer: Quasiclassical Trajectories Reveal Dynamically Ballistic, Dynamically Unrelaxed, Two Step, and Concerted Mechanisms

Josh Wheeler, Ryan Carlsen, Daniel Ess

Version 1 posted 23 April 2020

410

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Earth, Space, and Environmental Chemistry

Working Paper

Water Structure on Mica Surfaces: Investigating the Effect of Cations

Jiarun Zhou, Nurun Nahar Lata, Sapna Sarupria, will cantrell

Version 1 posted 20 September 2019

757

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2

Citations

Materials Science

Working Paper

Capsaicin Entrapment in Metal-Organic Framework Material Derived from γ-Cyclodextrin

Gangothri Venkataswamy, Nisha kiran Meena, Kavya K Naik, Nanishankar Harohally

Version 1 posted 28 November 2019

594

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Theoretical and Computational Chemistry

Working Paper

IR of Vanillin: A classic study with a twist

Michael Nicolaou, Hans Senn, Emma Gibson, Laia Vilà-Nadal

Version 2 posted 02 November 2023

596

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1

Citations

Catalysis

Working Paper

Tautomerization Between Vinyl Alcohol and Acetaldehyde During Catalytic Ethanol Oxidation: The Effect of Water Molecules

Ruitao Wu, Rotimi Ore, Lichang Wang

Version 1 posted 10 October 2024

80

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Physical Chemistry

Working Paper

Non-destructive and Label Free Evaluation of the Biochemicals Lady finger by Vibrational Spectroscopy (FT-Raman and ATR-FTIR) Technique

Nidhi Shukla, M.N. DEO, Shashank Gupta, Soni Mishra, K.N. Uttam, ABHISHEK KUMAR MISHRA

Version 1 posted 31 May 2024

88

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Inorganic Chemistry

Working Paper

Synthesis and Characterization of a New Monometallic Manganese Layered Double Hydroxide with Unique Redox Properties

Damien Cornu, Romain Coustel, Aurélien Renard, Pierrick Durand, Cédric Carteret, Christian Ruby

Version 1 posted 01 October 2020

732

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Analytical Chemistry

Working Paper

DFT Studies of Rotational Conformers of 4-Azido-N-Phenylmalemide

Sathya Perera, Lichang Wang

Version 1 posted 13 June 2023

107

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1

Citations

Physical Chemistry

Working Paper

Fundamentally Intertwined: Anharmonic Intermolecular Interactions Dictate Both Thermal Expansion and Terahertz Lattice Dynamics in Molecular Crystals

Navkiran Juneja, Josephine Hastings, William Stoll, William Brennessel, Salvatore Zarella, Parker Sornberger, Luca Catalano, Timothy Korter, Michael Ruggiero

Version 1 posted 04 July 2024

163

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Theoretical and Computational Chemistry

Working Paper

Enhancing Molecular Structure Elucidation: MultiModalTransformer for both simulated and experimental spectra

Martin Priessner, Richard Lewis, Jon Paul Janet, Isak Lemurell, Magnus Johansson, Jonathan Goodman, Anna Tomberg

Version 1 posted 15 November 2024

132

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10 results in IR in Keywords: IR

Mechanistic Molecular Motion of Transition-Metal Mediated Beta-Hydride Transfer: Quasiclassical Trajectories Reveal Dynamically Ballistic, Dynamically Unrelaxed, Two Step, and Concerted Mechanisms

Water Structure on Mica Surfaces: Investigating the Effect of Cations

Capsaicin Entrapment in Metal-Organic Framework Material Derived from γ-Cyclodextrin

IR of Vanillin: A classic study with a twist

Tautomerization Between Vinyl Alcohol and Acetaldehyde During Catalytic Ethanol Oxidation: The Effect of Water Molecules

Non-destructive and Label Free Evaluation of the Biochemicals Lady finger by Vibrational Spectroscopy (FT-Raman and ATR-FTIR) Technique

Synthesis and Characterization of a New Monometallic Manganese Layered Double Hydroxide with Unique Redox Properties

DFT Studies of Rotational Conformers of 4-Azido-N-Phenylmalemide

Fundamentally Intertwined: Anharmonic Intermolecular Interactions Dictate Both Thermal Expansion and Terahertz Lattice Dynamics in Molecular Crystals

Enhancing Molecular Structure Elucidation: MultiModalTransformer for both simulated and experimental spectra

10 results in Keywords: IR