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Theoretical and Computational Chemistry

Working Paper

A Thermodynamic Landscape of Hydrogen Cyanide-Derived Molecules and Polymers

Hilda Sandström, Fernando Izquierdo-Ruiz, Marco Cappelletti, Rana Dogan, Siddhant Sharma, Clara Bailey, Martin Rahm

Version 1 posted 04 April 2024

285

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Inorganic Chemistry

Working Paper

Dinitroacetylene: Can it be Made?

Lara Harter, Martin Rahm, Guillaume Bélanger-Chabot

Version 2 posted 06 December 2024

434

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Materials Science

Working Paper

Quantifying Atomic Volume, Partial Charge and Electronegativity in Condensed Phases

Stefano Racioppi, Per Hyldgaard, Martin Rahm

Version 1 posted 21 November 2023

277

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Earth, Space, and Environmental Chemistry

Working Paper

Polar Opposites Attract on Saturn’s Moon Titan

Fernando Izquierdo-Ruiz, Morgan Cable, Robert Hodyss, Tuan Vu, Hilda Sandström, Alvaro Lobato, Martin Rahm

Version 1 posted 15 March 2024

556

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Theoretical and Computational Chemistry

Working Paper

Electronegativity Equilibration

Francesco Sessa, Martin Rahm

Version 2 posted 02 June 2022

783

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Catalysis

Working Paper

Formal Addition of Acetone to Unactivated Michael Acceptors via Ring-Opening and Retro-Claisen Fragmentation of Dihydropyranones

Anton Axelsson, Emmelie Hammarvid, Martin Rahm, Henrik Sundén

Version 1 posted 16 September 2019

1,008

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Catalysis

Working Paper

Palladium Catalyzed Stereoselective Arylation of Biocatalytically Derived Cyclic 1,3-Dienes: Chirality Transfer via a Heck-Type Mechanism

Andrew J. Paterson, Petter Dunås, Martin Rahm, Per-Ola Norrby, Gabriele Kociok-Kohn, Simon E. Lewis, Nina Kann

Version 2 posted 24 January 2020

934

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Theoretical and Computational Chemistry

Working Paper

A Density Functional Theory for the Average Electron Energy

Stefano Racioppi, Phalgun Lolur, Per Hyldgaard, Martin Rahm

Version 2 posted 29 June 2022

596

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Theoretical and Computational Chemistry

Working Paper

The Electron Density: A Fidelity Witness for Quantum Computation

Mårten Skogh, Phalgun Lolur, Werner Dobrautz, Christopher Warren, Janka Biznárová, Amr Osman, Giovanna Tancredi, Jonas Bylander, Martin Rahm

Version 1 posted 09 October 2023

386

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Organic Chemistry

Working Paper

Transforming Aryl-Tetrazines into Bioorthogonal Scissors for Systematic Cleavage of trans-Cyclooctenes

Martin Wilkovitsch, Walter Kuba, Patrick Keppel, Barbara Sohr, Andreas Löffler, Stefan Kronister, Andres Fernandez del Castillo, Marion Goldeck, Rastislav Dzijak, Michal Rahm, Milan Vrabel, Dennis Svatunek, Jonathan Carlson, Hannes Mikula

Version 3 posted 02 July 2024

1,740

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12 results in Martin Rahm in Authors: Martin Rahm

A Thermodynamic Landscape of Hydrogen Cyanide-Derived Molecules and Polymers

Dinitroacetylene: Can it be Made?

Quantifying Atomic Volume, Partial Charge and Electronegativity in Condensed Phases

Polar Opposites Attract on Saturn’s Moon Titan

Electronegativity Equilibration

Formal Addition of Acetone to Unactivated Michael Acceptors via Ring-Opening and Retro-Claisen Fragmentation of Dihydropyranones

Palladium Catalyzed Stereoselective Arylation of Biocatalytically Derived Cyclic 1,3-Dienes: Chirality Transfer via a Heck-Type Mechanism

A Density Functional Theory for the Average Electron Energy

The Electron Density: A Fidelity Witness for Quantum Computation

Transforming Aryl-Tetrazines into Bioorthogonal Scissors for Systematic Cleavage of trans-Cyclooctenes

12 results in Authors: Martin Rahm