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- 2015
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Mark
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
2015) In Journal of Computational Chemistry(
- Contribution to journal › Article
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Mark
Exploring Photoinduced Excited State Evolution in Heterobimetallic Ru(II)-Co(III) Complexes
(
- Contribution to journal › Article
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Mark
Cellulose-Water Interactions: Effect of electronic polarizability
(
- Contribution to journal › Article
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Mark
Luscus: molecular viewer and editor for MOLCAS.
(
- Contribution to journal › Article
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Mark
Multiscale Modeling of the Active Site of [Fe] Hydrogenase: The H-2 Binding Site in Open and Closed Protein Conformations
(
- Contribution to journal › Article
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Mark
A Heteroleptic Ferrous Complex with Mesoionic Bis(1,2,3-triazol-5-ylidene) Ligands: Taming the MLCT Excited State of Iron(II).
(
- Contribution to journal › Article
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Mark
One-Step Synthesis of Precursor Oligomers for Organic Photovoltaics: A Comparative Study between Polymers and Small Molecules
(
- Contribution to journal › Article
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Mark
Multistep Molecular Dynamics Simulations Identify the Highly Cooperative Activity of Melittin in Recognizing and Stabilizing Membrane Pores.
(
- Contribution to journal › Article
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Mark
Rational design of D-A1-D-A2 conjugated polymers with superior spectral coverage.
(
- Contribution to journal › Article
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Mark
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
(
- Contribution to journal › Scientific review