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- 2005
-
Mark
Life of Excitons in Artificial Photosynthetic Antennas
(2005)
- Thesis › Doctoral thesis (compilation)
-
Mark
From biological to synthetic light-harvesting materials - the elementary steps
(2005) p.143-186
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-xi basis set 6-311+G(d,p)
(2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(12). p.2937-2941
- Contribution to journal › Article
- 2004
-
Mark
Studies of intermolecular vibrations in hydrogen-bonded molecular complexes for the gas phase using a synchrotron radiation source
- Contribution to journal › Article
-
Mark
Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing
- Contribution to journal › Article
-
Mark
The electronic states of polyfluorene copolymers with alternating donor-acceptor units
Jespersen, Kim LU ; Beenken, Wichard LU ; Zausjitsyn, Yuri LU ; Yartsev, Arkady LU
; Andersson, Mats
; Pullerits, Tönu
LU
and Sundström, Villy
LU
(2004)
In Journal of Chemical Physics
121(24).
p.12613-12617
- Contribution to journal › Article
-
Mark
Local properties of quantum chemical systems: The LoProp approach
- Contribution to journal › Article
-
Mark
Excitonic coupling in polythiophenes: Comparison of different calculation methods
- Contribution to journal › Article
-
Mark
The infrared spectrum of isothiazole in the range 600-1500 cm(-1), including a high-resolution study of the v(11)(A ') band at 818cm(-1) and the v(16)(A '') band at 727cm(-1), together with ab initio studies of the full spectrum
- Contribution to journal › Article
-
Mark
Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
- Contribution to journal › Article