Search

Organic Chemistry

Working Paper

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

208

Downloads

Theoretical and Computational Chemistry

Working Paper

Understanding Electrochemical Reversibility using Density Functional Theory: Bridging Theoretical Scheme of Squares and Experimental Cyclic Voltammetry

Amir Mahdian, Arsalan Hashemi, Kari Laasonen

Version 1 posted 16 July 2024

201

Downloads

Organic Chemistry

Working Paper

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

298

Downloads

Catalysis

Working Paper

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

272

Downloads

Theoretical and Computational Chemistry

Working Paper

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

582

Downloads

Theoretical and Computational Chemistry

Working Paper

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

423

Downloads

Organic Chemistry

Working Paper

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

375

Downloads

Refine Search

7 results in Kari Laasonen in Authors: Kari Laasonen

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

Understanding Electrochemical Reversibility using Density Functional Theory: Bridging Theoretical Scheme of Squares and Experimental Cyclic Voltammetry

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

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

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

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

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

7 results in Authors: Kari Laasonen