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- 2003
-
Mark
Lactam hydrolysis catalyzed by mononuclear metallo-beta-lactamases: A density functional study
Olsen, L ; Antony, J ; Ryde, Ulf LU
; Adolph, H-W
and Hemmingsen, L
(2003)
In The Journal of Physical Chemistry Part B
107(10).
p.2366-2375
- Contribution to journal › Article
-
Mark
Coupled cluster/molecular mechanics method: Implementation and application to liquid water.
(2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(14). p.2578-2588
- Contribution to journal › Article
-
Mark
Semidirect parallel self-consistent field: the load balancing problem in the input/output intensive self-consistent field iterations
- Contribution to journal › Article
-
Mark
Phase behavior of an ionic surfactant with mixed monovalent/polymeric counterions
- Contribution to journal › Article
-
Mark
Quantum refinement - a combination of quantum chemistry and protein crystallography.
Ryde, Ulf LU
and Nilsson, Kristina
LU
(2003)
In Journal of molecular structure. Theochem
632(1-3).
p.259-275
- Contribution to journal › Scientific review
-
Mark
Free Energy and Surface Forces in polymer systems: Monte Carlo Simulation Studies
(2003)
- Thesis › Doctoral thesis (compilation)
-
Mark
Theoretical prediction of the co-c bond strength in cobalamins.
Jensen, Kasper LU and Ryde, Ulf LU
(2003)
In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
107(38).
p.7539-7545
- Contribution to journal › Article
-
Mark
The allyl radical revisited: A theoretical study of the electronic spectrum.
- Contribution to journal › Article
-
Mark
Bjorn's top ten
- Contribution to journal › Letter
-
Mark
Molecular orbital theory.
- Chapter in Book/Report/Conference proceeding › Book chapter