Physical Chemistry

Phone(+45) 4525 2419
Websitehttps://www.kemi.dtu.dk/english/research/physicalchemistry

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DK-2800 Kgs. Lyngby
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11 results

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2024
Atom-Based Neural Networks for Decomposed Quantum Chemistry
Kjeldal, F. Ø., 2024, DTU Chemistry. 175 p.
Research output: Book/Report › Ph.D. thesis

Open Access
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25 Downloads (Orbit)
Atomic Partitioning of Periodic Electronic-Structure Simulations
Zamok, L., 2024, DTU Chemistry. 178 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
13 Downloads (Orbit)
Computational screening tool for lipase performance in organic media
Tjørnelund, H. D., 2024, DTU Chemistry. 158 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
102 Downloads (Orbit)
Design of Zeolite Catalysts for Selective CO₂ Hydrogenation and Alcohol Production
Iltsiou, D., 2024, DTU Chemistry. 246 p.
Research output: Book/Report › Ph.D. thesis
99 Downloads (Orbit)
Development of polarizable embedding coupled to static and dynamic QM/MM simulations
Kvedaraviciute, S., 2024, DTU Chemistry. 205 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
99 Downloads (Orbit)
Exploring Magnetocaloric Effects and Magnetic Properties in Lanthanide-Organic Frameworks
Manvell, A. S., 2024, DTU Chemistry. 225 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
36 Downloads (Orbit)
2023
Coupled cluster-based methods for linear and nonlinear spectroscopies in different frequency regions
Andersen, J. H., 2023, Kgs. Lyngby: Technical University of Denmark. 209 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
105 Downloads (Orbit)
Nanopatterning of 2D materials by block copolymer self-assembly
Nielsen, C. B., 2023, Kgs. Lyngby: Technical University of Denmark. 129 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
123 Downloads (Orbit)
Surface engineering and photophysics of InP/ZnS quantum dots for photocatalytic application
Zhao, Q., 2023, DTU Chemistry. 214 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
163 Downloads (Orbit)
2022
Molecular Diffusion in Systems Related to Reservoir Fluids
Yang, Y., 2022, DTU Chemistry. 156 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
49 Downloads (Orbit)
On Simulating Ultra-fast Chemical Processes and their Spectroscopic Signatures
Schnack-Petersen, A. K., 2022, DTU Chemistry. 390 p.
Research output: Book/Report › Ph.D. thesis

Open Access
File
57 Downloads (Orbit)

Physical Chemistry

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