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2025
Mark Surface Formation Pathway of Nitrogen- and Sulfur-Containing Organic Compounds on Ammonium Sulfate
Chen, Jie Ping ; Kisimbiri, George Wandera ; Gladich, Ivan ; Fauré, Nicolas ; Thomson, Erik S. ; Temperton, Robert ^LU ; Kanji, Zamin A. and Kong, Xiangrui (2025) In Journal of Physical Chemistry A 129(12). p.2922-2931
- Contribution to journal › Article
Mark Study on the Influence of External Electric Field Control and Vibrational Quantum Effect on the Charge Separation Mechanism in Fullerene-Based Systems
Wang, Xinyue ; Guo, Huijie ; Kang, Dawei ; Pullerits, Tõnu ^LU and Song, Peng (2025) In Journal of Physical Chemistry A 129(5). p.1207-1218
- Contribution to journal › Article
Mark Negative-Ion Formation upon Soft X-ray Photoexcitation of 2-Propanol
Kivimäki, Antti ^LU ; Pelimanni, Eetu ; Chernenko, Kirill ^LU ; Abid, Abdul Rahman and Stråhlman, Christian ^LU (2025) In Journal of Physical Chemistry A 129(10). p.2454-2461
- Contribution to journal › Article
Mark Photoinduced Charge Transfer at the D/A Interfaces of Isomerized DSMAs Regulated through an External Electric Field
Guo, Huijie ; Li, Jingping ; Ding, Xiaowei ; Zhang, Meixia ; Pullerits, Tõnu ^LU and Song, Peng (2025) In Journal of Physical Chemistry A 129(28). p.6198-6210
- Contribution to journal › Article
2024
Mark Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)₄H]⁻ Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Vysotskiy, Victor P. ^LU ; Filippi, Claudia and Ryde, Ulf ^LU (2024) In Journal of Physical Chemistry A 128(7). p.1358-1374
- Contribution to journal › Article
Mark Gas-to-Particle Partitioning of Products from Ozonolysis of Δ³-Carene and the Effect of Temperature and Relative Humidity
Li, Linjie ; Thomsen, Ditte ; Wu, Cheng ; Priestley, Michael ; Iversen, Emil Mark ; Tygesen Sko̷nager, Jane ; Luo, Yuanyuan ; Ehn, Mikael ; Roldin, Pontus ^LU and Pedersen, Henrik B. , et al. (2024) In Journal of Physical Chemistry A 128(5). p.918-928
- Contribution to journal › Article
Mark Anisotropy Parameters for Two-Color Photoionization Phases in Randomly Oriented Molecules : Theory and Experiment in Methane and Deuteromethane
Ertel, Dominik ; Busto, David ^LU ; Makos, Ioannis ; Schmoll, Marvin ; Benda, Jakub ; Bragheri, Francesca ; Osellame, Roberto ; Lindroth, Eva ; Patchkovskii, Serguei and Mašín, Zdeněk , et al. (2024) In Journal of Physical Chemistry A 128(9). p.1685-1697
- Contribution to journal › Article
2023
Mark Multiconfigurational Pair-Density Functional Theory Is More Complex than You May Think
Rodrigues, Gabriel L.S. ^LU ; Scott, Mikael ^LU and Delcey, Mickael G. ^LU (2023) In Journal of Physical Chemistry A 127(44). p.9381-9388
- Contribution to journal › Article
Mark Multifaceted Deactivation Dynamics of Fe(II) N-Heterocyclic Carbene Photosensitizers
Lindh, Linnea ^LU ; Pascher, Torbjörn ^LU ; Persson, Samuel ^LU ; Goriya, Yogesh ^LU ; Wärnmark, Kenneth ^LU ; Uhlig, Jens ^LU ; Chábera, Pavel ^LU ; Persson, Petter ^LU and Yartsev, Arkady ^LU (2023) In Journal of Physical Chemistry A 127(48). p.10210-10222
- Contribution to journal › Article
Mark Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur Clusters
Zhai, Huanchen ; Lee, Seunghoon ^LU ; Cui, Zhi Hao ; Cao, Lili ^LU ; Ryde, Ulf ^LU and Chan, Garnet Kin Lic (2023) In Journal of Physical Chemistry A 127(47). p.9974-9984
- Contribution to journal › Article

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