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Physical Chemistry

Working Paper

Specific Ion Effects on Hydrogen-Bond Rearrangements in the Halide–Dihydrate Complexes

Pushp Bajaj, Debbie Zhuang, Paesani Lab

Version 1 posted 29 March 2019

610

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Catalysis

Working Paper

Thermally Activated Tunneling in the Two-Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds

Ashim Nandi, Gershom Martin

Version 1 posted 14 June 2022

151

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Theoretical and Computational Chemistry

Working Paper

Towards Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm

Stephen Jon Quiton, Jeongmin Chae, Selin Bac, Kareesa Kron, Urbashi Mitra, Shaama Mallikarjun Sharada

Version 1 posted 04 April 2022

275

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1

Citations

Physical Chemistry

Working Paper

Nuclear Quantum Effects Across Chemical Space

Michael Webb, Baris Ugur

Version 1 posted 03 December 2024

91

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Nanoscience

Working Paper

Dichotomy between Level Broadening and Level Coupling to Electrodes in Large Area EGaIn Molecular Junctions

Ioan Baldea

Version 1 posted 22 February 2024

89

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Nanoscience

Working Paper

Efficient Electron Hopping Transport through Azurin-Based Junctions

Carlos Roldán-Piñero, Carlos Romero-Muñiz, Ismael Díez-Pérez, José Guilherme Vilhena, Rubén Pérez, Juan Carlos Cuevas, Linda Angela Zotti

Version 1 posted 25 September 2023

224

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Organic Chemistry

Working Paper

Cage Alkyl Carbenes Provide Experimental Evidence for Isotope-Controlled Selectivity

Akkad Danho, Bastian Bernhardt, Dennis Gerbig, Marija Alešković, Peter Richard Schreiner

Version 1 posted 17 December 2024

155

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Nanoscience

Working Paper

Can tunneling current in molecular junctions be so strongly temperature dependent to challenge a hopping mechanism? Analytical formulas answer this question and provide important insight into large area junctions

Ioan Baldea

Version 1 posted 24 November 2023

123

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Physical Chemistry

Working Paper

Towards a First-Principles Evaluation of Transport Mechanisms in Molecular Wires

Susanne kröncke, Carmen Herrmann

Version 1 posted 30 June 2020

615

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9 results in Tunneling in Keywords: Tunneling

Specific Ion Effects on Hydrogen-Bond Rearrangements in the Halide–Dihydrate Complexes

Thermally Activated Tunneling in the Two-Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds

Towards Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm

Nuclear Quantum Effects Across Chemical Space

Dichotomy between Level Broadening and Level Coupling to Electrodes in Large Area EGaIn Molecular Junctions

Efficient Electron Hopping Transport through Azurin-Based Junctions

Cage Alkyl Carbenes Provide Experimental Evidence for Isotope-Controlled Selectivity

Can tunneling current in molecular junctions be so strongly temperature dependent to challenge a hopping mechanism? Analytical formulas answer this question and provide important insight into large area junctions

Towards a First-Principles Evaluation of Transport Mechanisms in Molecular Wires

9 results in Keywords: Tunneling