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- 2010
-
Mark
The solvent shell structure of aqueous iodide : X-ray absorption spectroscopy and classical, hybrid QM/MM and full quantum molecular dynamics simulations
(
- Contribution to journal › Article
- 2009
-
Mark
QM/MM study of the insertion of metal ion into protoporphyrin IX by ferrochelatase
(
- Contribution to journal › Article
-
Mark
Aqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model
(
- Contribution to journal › Article
- 2008
-
Mark
A comparison of the tetrapyrrole cofactors in nature and their tuning by axial ligands
2008) p.27-56(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2003
-
Mark
Quantum Chemical Interpretation of Protein Crystal Structure
2003)(
- Thesis › Doctoral thesis (compilation)
- 2001
-
Mark
Theoretical studies of porphyrin proteins
2001)(
- Thesis › Doctoral thesis (compilation)
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