Computational Chemistry

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2001
Mark Structure, strain, and reorganization energy of blue copper models in the protein
Ryde, Ulf ^LU and Olsson, Mats H. M. (2001) In International Journal of Quantum Chemistry 81(5). p.335-347
- Contribution to journal › Article
Mark Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods
Sigfridsson, Emma ; Olsson, Mats H. M. and Ryde, Ulf ^LU (2001) In Inorganic Chemistry 40(11). p.2509-2519
- Contribution to journal › Article
Mark A comparison of the inner-sphere reorganization energies of cytochromes, iron-sulphur clusters, and blue copper proteins
Sigfridsson, Emma ; Olsson, Mats H. M. and Ryde, Ulf ^LU (2001) In The Journal of Physical Chemistry Part B 105(23). p.5546-5552
- Contribution to journal › Article
Mark Calculated Potential Energy Surfaces and Vibrational Analysis
Forsberg, Niclas ^LU (2001)
- Thesis › Doctoral thesis (compilation)
Mark Charged Polymers: From DNA to Polyampholytes
Khan, Malek O ^LU (2001)
- Thesis › Doctoral thesis (compilation)
Mark Studies of molecular systems with multiconfigurational methods
Stålring, Jonna ^LU (2001)
- Thesis › Doctoral thesis (compilation)
Mark Geometry, Reduction Potential, and Reorganization Energy of the Binuclear CuA Site, Studied by Density Functional Theory
Olsson, Mats H. M. and Ryde, Ulf ^LU (2001) In Journal of the American Chemical Society 123(32). p.7866-7876
- Contribution to journal › Article
Mark A theoretical study of the copper–cysteine bond in blue copper proteins
Ryde, Ulf ^LU ; Olsson, Mats H. M. ; Roos, Björn ^LU and Borin-Carlos, Antonio (2001) In Theoretical Chemistry Accounts 105(6). p.452-462
- Contribution to journal › Article
Mark Theoretical studies of porphyrin proteins
Sigfridsson, Emma ^LU (2001)
- Thesis › Doctoral thesis (compilation)
Mark Lattice model calculations of interactions between proteins and surface grafted polymers with tethered affinity ligands
Karlström, Gunnar ^LU and Johansson, Hans-Olof ^LU (2001) In Colloids and Surfaces B: Biointerfaces 20(3). p.245-256
- Contribution to journal › Article

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