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Arsalan Hashemi

4 results in Authors: Arsalan Hashemi

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

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

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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