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6 results in Authors: Kari Laasonen

The Mechanism of CO2 Electroreduction to Multi- carbon Products over Iron Phthalocyanine Single-Atom Catalyst

Reza Khakpour, Kaveh Farshadfar, Si-Thanh Dong, Benedikt Lassalle-Kaiser, Kari Laasonen, Michael Busch

Version 1 posted 08 December 2023

224

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Theoretical and Computational Chemistry

Understanding Electron Transfer Reactions using Constrained Density Functional Theory: Complications due to Surface Interactions

Arsalan Hashemi, Pekka Peljo, Kari Laasonen

Version 2 posted 15 September 2022

464

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Theoretical and Computational Chemistry

Density Functional Theory and Machine Learning for Electrochemical Square-Scheme Prediction: An Application to Quinone-type Molecules Relevant to Redox Flow Batteries

Arsalan Hashemi, Reza Khakpour, Amir Mahdian, Michael Busch, Pekka Peljo, Kari Laasonen

Version 2 posted 22 August 2023

376

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Organic Chemistry

Kinetics of N2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study

Kaveh Farshadfar, Arsalan Hashemi, Reza Khakpour, Kari Laasonen

Version 1 posted 16 August 2023

156

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Organic Chemistry

Exploration of Vitamin B6-Based Redox-Active Pyridinium Salts towards the Application in Aqueous Organic Flow Batteries

Anton Nechaev, Gabriel Gonzalez, Prachi Verma, Vsevolod Peshkov, Anton Bannykh, Arsalan Hashemi, Jenna Hannonen, Andrea Hamza, Imre Papai, Kari Laasonen, Pekka Peljo, Petri Pihko

Version 1 posted 21 February 2024

275

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Organic Chemistry

Aliphatic Ketone Claisen Rearrangement: Troubleshooting the Transetherification Step by Identifying a Stable Acid Catalyst

Veera Bruce, Kaveh Farshadfar, Aino Rolig, Kari Laasonen, Petri Pihko

Version 1 posted 26 April 2024

194

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