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2009
Mark Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry
Brynda, Marcin ; Gagliardi, Laura and Roos, Björn ^LU (2009) In Chemical Physics Letters 471(1-3). p.1-10
- Contribution to journal › Article
Mark Adiabatic connections and properties of coupling-integrated exchange-correlation holes and pair densities in density functional theory
Pistol, Mats-Erik ^LU and Almbladh, Carl-Olof ^LU (2009) In Chemical Physics Letters 480(1-3). p.136-139
- Contribution to journal › Article
Mark Assignment of the L2,3VV normal Auger decay spectrum of Cl-2 by ab initio calculations
Travnikova, Oksana ; Fink, Reinhold F. ; Kivimaki, Antti ; Céolin, Denis ^LU ; Bao, Zhuo and Piancastelli, Maria Novella (2009) In Chemical Physics Letters 474(1-3). p.67-73
- Contribution to journal › Article
Mark Dark excited states of carotenoids: Consensus and controversy
Polivka, Tomas ^LU and Sundström, Villy ^LU (2009) In Chemical Physics Letters 477(1-3). p.1-11
- Contribution to journal › Article
Mark Atmospheric chemistry of cis-CF3CHCHF: Kinetics of reactions with OH radicals and O3 and products of OH radical initiated oxidation
Nilsson, E.j.k. ^LU ; Nielsen, O.j. ; Johnson, M S ; Hurley, M.d. and Wallington, T.j. (2009) In Chemical Physics Letters 473(4-6). p.233-237
- Contribution to journal › Article
2008
Mark The Douglas-Kroll-Hess electron density at an atomic nucleus
Mastalerz, Remigius ; Lindh, Roland ^LU and Reiher, Markus (2008) In Chemical Physics Letters 465(1-3). p.157-164
- Contribution to journal › Article
Mark Valence electronic structure of ruthenium based complexes probed by photoelectron spectroscopy at high kinetic energy (HIKE) and modeled by DFT calculations
Johansson, Erik ^LU ; Odelius, M. ; Gorgoi, M. ; Karis, O. ; Ovsyannikov, R. ; Schafers, F. ; Svensson, S. ; Siegbahn, H. and Rensmo, H. (2008) In Chemical Physics Letters 464(4-6). p.192-197
- Contribution to journal › Article
Mark The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
De Vico, Luca ^LU ; Pegado, Luis ^LU ; Heimdal, Jimmy ^LU ; Söderhjelm, Pär ^LU and Roos, Björn ^LU (2008) In Chemical Physics Letters 461(1-3). p.136-141
- Contribution to journal › Article
Mark On the excited-state multi-dimensionality in cyanines
Dietzek, Benjamin ^LU ; Brüggemann, Ben ^LU ; Persson, Petter ^LU and Yartsev, Arkady ^LU (2008) In Chemical Physics Letters 455(1-3). p.13-19
- Contribution to journal › Article
Mark The influence of the sigma resonance on the Auger decay of core-ionized molecular nitrogen
Ristinmaa Sörensen, Stacey ^LU ; Miron, C ; Feifel, R ; Piancastelli, M -N ; Bjorneholm, O and Svensson, S (2008) In Chemical Physics Letters 456(1-3). p.1-6
- Contribution to journal › Article

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