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- 2008
-
Mark
Core localization and sigma( *) delocalization in the O 1s core-excited sulfur dioxide molecule.
Lindgren, Andreas LU ; Kosugi, Nobuhiro ; Gisselbrecht, Mathieu LU
; Kivimäki, Antti
; Burmeister, Florian
; Naves de Brito, Arnaldo
and Ristinmaa Sörensen, Stacey
LU
(2008)
In Journal of Chemical Physics
128(11).
- Contribution to journal › Article
-
Mark
The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO(2) and Cu(2)O(2) systems.
- Contribution to journal › Article
-
Mark
Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints
- Contribution to journal › Article
-
Mark
On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution.
Aidas, Kestutis ; Mo̸gelho̸j, Andreas ; Nilsson, Elna J K LU
; Johnson, Matthew S
; Mikkelsen, Kurt V
; Christiansen, Ove
; Söderhjelm, Pär
LU
and Kongsted, Jacob
LU
(2008)
In Journal of Chemical Physics
128(19).
p.1-194503
- Contribution to journal › Article
-
Mark
Electrostatics in the presence of spherical dielectric discontinuities.
- Contribution to journal › Article
-
Mark
Accurate ab initio density fitting for multiconfigurational self-consistent field methods.
- Contribution to journal › Article
-
Mark
Diffusion of two particles with a finite interaction potential in one dimension
- Contribution to journal › Article
-
Mark
Single-file dynamics with different diffusion constants
- Contribution to journal › Article
-
Mark
Model simulations of the adsorption of statherin to solid surfaces : Effects of surface charge and hydrophobicity
- Contribution to journal › Article
-
Mark
Linear scaling multireference singles and doubles configuration interaction.
- Contribution to journal › Article