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- 2007
-
Mark
Performance of density functionals for first row transition metal systems
(
- Contribution to journal › Article
- 2005
-
Mark
O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods
(
- Contribution to journal › Article
- 2003
-
Mark
Molecular orbital theory.
2003) In Comprehensive Coordination Chemistry 2 (Vol. 1)(
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Molcas: a program package for computational chemistry.
2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239(
- Contribution to journal › Article
- 2001
-
Mark
A theoretical study of the copper–cysteine bond in blue copper proteins
(
- Contribution to journal › Article
- 2000
-
Mark
On the role of strain in blue copper proteins
(
- Contribution to journal › Article
- 1998
-
Mark
Theoretical study of the structural and spectroscopic properties of stellacyanin
(
- Contribution to journal › Article
-
Mark
On the relative stability of tetragonal and trigonal Cu(II) complexes with relevance to the blue copper proteins
(
- Contribution to journal › Article
-
Mark
Quantum chemical calculations of the reorganization energy of blue- copper proteins
(
- Contribution to journal › Article
-
Mark
Relation between the structure and spectroscopic properties of blue copper proteins
(
- Contribution to journal › Article