Research output per year
Research output per year
UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
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Kaveh Farshadfar
- Department of Chemistry and Materials Science - Postdoctoral Researcher
- Computational Chemistry - Postdoctoral Researcher
Person: Postdoctoral researchers
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Reza Khakpour
- School of Chemical Engineering
- Department of Chemistry and Materials Science - Doctoral Researcher
- Computational Chemistry - Doctoral Researcher
Person: Doctoral students, Doctoral Student
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Kari Laasonen
- Department of Chemistry and Materials Science - Professor
- Computational Chemistry - Professor
Person: Professors, tenure track
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Ab initio molecular dynamics investigation of the Pt(111)-water interface structure in an alkaline environment with high surface OH-coverages
Partanen, L. & Laasonen, K., 14 Jul 2024, In: Physical Chemistry Chemical Physics. 26, 26, p. 18233-18243 11 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile10 Downloads (Pure) -
Aliphatic Ketone Claisen Rearrangement: Troubleshooting the Transetherification Step by Identifying a Stable Acid Catalyst
Bruce, V. K., Farshadfar, K., Rolig, A., Laasonen, K. & Pihko, P. M., 19 Sept 2024, In: Chemistry - A European Journal. 30, 53, 6 p., e202402371.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile27 Downloads (Pure) -
Comparison of the Efficiency of B-O and B-C Bond Formation Pathways in Borane-Catalyzed Carbene Transfer Reactions Using α-Diazocarbonyl Precursors: A Combined Density Functional Theory and Machine Learning Study
Farshadfar, K. & Laasonen, K., 4 Oct 2024, In: ACS Catalysis. 14, 19, p. 14486-14496 11 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile8 Downloads (Pure)
Datasets
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Structural Data for the Zincone ALD/MLD Hybrid Thin Film Growth Reactions
Mäkinen, M. (Creator), Harvard Dataverse, 2023
DOI: 10.7910/dvn/wfvehm, https://dataverse.harvard.edu/citation?persistentId=doi:10.7910/DVN/WFVEHM
Dataset
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Supporting Information for How to Predict the pKa of Any Compound in Any Solvent: Structures
Busch, M. (Creator), Ahlberg, E. (Creator), Ahlberg, E. (Creator) & Laasonen, K. (Creator), figshare, 9 May 2022
DOI: 10.1021/acsomega.2c01393.s003
Dataset
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Supporting Information for How to Predict the pKa of Any Compound in Any Solvent: Summary of all compounds
Busch, M. (Creator), Ahlberg, E. (Creator), Ahlberg, E. (Creator) & Laasonen, K. (Creator), figshare, 9 May 2022
DOI: 10.1021/acsomega.2c01393.s002
Dataset
Activities
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Journal of Chemical Physics (Journal)
Kronberg, R. (Reviewer)
7 Jan 2021Activity: Publication peer-review and editorial work types › Reviewer of scientific journal
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Computational Chemistry Days
Karttunen, A. (Organiser), Sammalkorpi, M. (Organiser) & Laasonen, K. (Organiser)
Dec 2021Activity: Participating in or organising an event types › Membership of an organizing committee or other positions of trust of a conference or a seminar
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Methodological Considerations in Simulating Dynamic Electrochemical Interfaces and Reactions from Density Functional Theory
Kronberg, R. (Contributor)
31 Aug 2020 → 4 Sept 2020Activity: Talk or presentation types › Conference presentation
Press/Media
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Computational screening as the enabler of discovery for new thin film materials
15/12/2024
1 item of Media coverage
Press/Media: Media appearance
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Python-skripteillä syntyy uraauurtavaa tutkimusta – ”ChatGPT on älyttömän hyvä työkalu ei-koodarille”
29/10/2024
1 item of Media coverage
Press/Media: Media appearance
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6 kysymystä tekoälystä – Ratkaiseeko se kemian haasteet?
06/03/2024
1 item of Media coverage
Press/Media: Media appearance