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- 2016
-
Mark
Multiconfigurational Quantum Chemistry
Roos, Björn O. LU ; Lindh, Roland LU ; Malmqvist, Perske LU ; Veryazov, Valera LU
and Widmark, Per Olof
LU
(2016)
- Book/Report › Book
- 2008
-
Mark
Simple N UF3 and P UF3 molecules with triple bonds to uranium
- Contribution to journal › Article
- 2000
-
Mark
On the role of strain in blue copper proteins
Ryde, Ulf LU
; Olsson, Mats H M
LU
; Roos, Björn O.
LU
; De Kerpel, Jan O A
and Pierloot, Kristine
(2000)
In Journal of Biological Inorganic Chemistry
5(5).
p.565-574
- Contribution to journal › Article
- 1998
-
Mark
Quantum chemical calculations of the reorganization energy of blue- copper proteins
Olsson, Mats H M LU ; Ryde, Ulf LU
and Roos, Björn O.
LU
(1998)
In Protein Science
7(12).
p.2659-2668
- Contribution to journal › Article
-
Mark
On the relative stability of tetragonal and trigonal Cu(II) complexes with relevance to the blue copper proteins
Olsson, Mats H M LU ; Ryde, Ulf LU
; Roos, Björn O.
LU
and Pierloot, Kristine
(1998)
In Journal of Biological Inorganic Chemistry
3(2).
p.109-125
- Contribution to journal › Article
-
Mark
Theoretical study of the structural and spectroscopic properties of stellacyanin
De Kerpel, Jan O A ; Pierloot, Kristine ; Ryde, Ulf LU
and Roos, Björn O.
LU
(1998)
In The Journal of Physical Chemistry Part B
102(23).
p.4638-4647
- Contribution to journal › Article
-
Mark
Relation between the structure and spectroscopic properties of blue copper proteins
Pierloot, Kristine ; De Kerpel, Jan O A ; Ryde, Ulf LU
; Olsson, Mats H M
LU
and Roos, Björn O.
LU
(1998)
In Journal of the American Chemical Society
120(50).
p.13156-13166
- Contribution to journal › Article
-
Mark
Proteins, Blue Copper: Electronic Spectra
Ryde, Ulf LU
; Olsson, Mats H. M.
LU
; Roos, Björn O.
LU
; Pierloot, Kristine
and De Kerpel, Jan O. A.
(1998)
p.2255-2270
- Chapter in Book/Report/Conference proceeding › Book chapter
- 1997
-
Mark
Theoretical study of the electronic spectrum of plastocyanin
Pierloot, Kristine ; De Kerpel, Jan O A ; Ryde, Ulf LU
and Roos, Björn O.
LU
(1997)
In Journal of the American Chemical Society
119(1).
p.218-226
- Contribution to journal › Article
- 1996
-
Mark
The cupric geometry of blue copper proteins is not strained
Ryde, Ulf LU
; Olsson, Mats H M
LU
; Pierloot, Kristine
and Roos, Björn O.
LU
(1996)
In Journal of Molecular Biology
261(4).
p.586-596
- Contribution to journal › Article