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- 2023
-
A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
(2023)
In Physical Chemistry Chemical Physics
25(8).
p.6153-6163
- Contribution to journal › Article
- 2022
-
New relativistic quantum chemical methods for understanding light-induced therapeutics
(2022)
In Dalton Transactions
51(42).
p.16055-16064
- Contribution to journal › Scientific review
-
Polarizable Embedding Complex Polarization Propagator in Four- and Two-Component Frameworks
(2022)
In Journal of Chemical Theory and Computation
18(6).
p.3671-3686
- Contribution to journal › Article
-
Extending relativistic linear response theory to address solvent effects
(2022)
- Thesis › Doctoral thesis (compilation)
- 2021
-
The role of the active site tyrosine in the mechanism of lytic polysaccharide monooxygenase
(2021)
In Chemical Science
12(1).
p.352-362
- Contribution to journal › Article
- 2020
-
Investigating the influence of relativistic effects on absorption spectra for platinum complexes with light-activated activity against cancer cells
(2020)
In Physical Chemistry Chemical Physics
22(46).
p.27013-27023
- Contribution to journal › Article
- 2019
-
OpenMolcas : From Source Code to Insight
(2019)
In Journal of Chemical Theory and Computation
15(11).
p.5925-5964
- Contribution to journal › Scientific review