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- 2009
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Mark
Role of Electronic Curve Crossing of Benzene S-1 State in the Photodissociation of Aryl Halides, Effect of Fluorination: RASSI-SO MS-CASPT2 Study
- Contribution to journal › Article
- 2008
-
Mark
PHYS 611-Macroconfiguration based approach for heavy element compounds: Implementation of relativistic generalized van Vleck perturbation theory (GVVPT3)
(2008) 235th American-Chemical-Society National Meeting In Abstracts of Papers of the American Chemical Society 235. p.611-611
- Contribution to journal › Published meeting abstract
-
Mark
Effect of covalent links on the structure, spectra, and redox properties of myeloperoxidase - A density functional study.
Devarajan, Ajitha LU ; Gaenko, Alexander LU and Ryde, Ulf LU
(2008)
In Journal of Inorganic Biochemistry
102.
p.1549-1557
- Contribution to journal › Article
- 2007
-
Mark
The role of axial ligands for the structure and function of chlorophylls
Heimdal, Jimmy LU ; Jensen, Kasper LU ; Devarajan, Ajitha LU and Ryde, Ulf LU
(2007)
In Journal of Biological Inorganic Chemistry
12(1).
p.49-61
- Contribution to journal › Article
- 2006
-
Mark
Spectral and density functional studies on the absorbance and fluorescence spectra of 2-R-5-phenyl-1,3,4-oxadiazoles and their conjugate acids
(2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(28). p.8750-8757
- Contribution to journal › Article
-
Mark
Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds - Potential emissive and electron transport materials
Gaenko, Alexander LU ; Devarajan, Ajitha LU ; Tselinskii, IV and Ryde, Ulf LU
(2006)
In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
110(25).
p.7935-7942
- Contribution to journal › Article