Computational Chemistry
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- 2019
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Mark
Excited State Dynamics of Bistridentate and Trisbidentate RuII Complexes of Quinoline-Pyrazole Ligands
(
- Contribution to journal › Article
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Mark
Why does sulfite reductase employ siroheme?
(
- Contribution to journal › Article
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Mark
Evaluating Models of Varying Complexity of Crowded Intrinsically Disordered Protein Solutions against SAXS
(
- Contribution to journal › Article
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Mark
Are crystallographic : B-factors suitable for calculating protein conformational entropy?
(
- Contribution to journal › Article
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Mark
Two aspects of simulating disorder
2019)(
- Thesis › Licentiate thesis
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Mark
Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement
(
- Contribution to journal › Article
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Mark
Impact of effective polarisability models on the near-field interaction of dissolved greenhouse gases at ice and air interfaces
(
- Contribution to journal › Article
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Mark
Bridging the gap between computational chemistry and macromolecular crystallography
2019)(
- Thesis › Doctoral thesis (compilation)
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Mark
OpenMolcas : From Source Code to Insight
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- Contribution to journal › Scientific review
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Mark
Pyridine-cyanoanthracene bonded exciplex
2019) International Conference of Computational Methods in Sciences and Engineering 2019, ICCMSE 2019 In AIP Conference Proceedings 2186.(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding