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2007
Mark The charge capacity of the chemical bond
Holt, Asbjörn ^LU ; Karlström, Gunnar ^LU and Lindh, Roland ^LU (2007) In Chemical Physics Letters 436(1-3). p.297-301
- Contribution to journal › Article
Mark Agostic interaction in the methylidene metal dihydride complexes H2MCH2 (M = Y, Zr, Nb, Mo, Ru, Th, or U)
Roos, Björn ^LU ; Lindh, Roland ^LU ; Cho, Han-Gook and Andrews, Lester (2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(28). p.6420-6424
- Contribution to journal › Article
2006
Mark Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
Liu, Ya-Jun ^LU ; Ajitha, D ; Krogh, Jesper Wisborg ^LU ; Tarnovsky, AN and Lindh, Roland ^LU (2006) In ChemPhysChem 7(4). p.955-963
- Contribution to journal › Article
Mark The prediction of the nuclear quadrupole splitting of Sn-119 Mossbauer spectroscopy data by scalar relativistic DFT calculations
Krogh, Jesper Wisborg ^LU ; Barone, G and Lindh, Roland ^LU (2006) In Chemistry: A European Journal 12(19). p.5116-5121
- Contribution to journal › Article
Mark Cholesky Decomposition of the two-electron integrals: A reliable tool for linear scaling methods?
Lindh, Roland ^LU (2006) International Conference on Computational Methods in Science and Engineering 7A-B. p.1299-1299
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
2005
Mark New general tools for constrained geometry optimizations
De Vico, Luca ^LU ; Olivucci, Massimo and Lindh, Roland ^LU (2005) In Journal of Chemical Theory and Computation 1(5). p.1029-1037
- Contribution to journal › Article
Mark Computation of conical intersections by using perturbation techniques
Serrano-Andres, L ; Merchan, M and Lindh, Roland ^LU (2005) In Journal of Chemical Physics 122(10). p.1-104107
- Contribution to journal › Article
Mark New relativistic ANO basis sets for transition metal atoms
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579
- Contribution to journal › Article
Mark New relativistic ANO basis sets for actinide atoms
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2005) In Chemical Physics Letters 409(4-6). p.295-299
- Contribution to journal › Article
2004
Mark Local properties of quantum chemical systems: The LoProp approach
Gagliardi, Laura ; Lindh, Roland ^LU and Karlström, Gunnar ^LU (2004) In Journal of Chemical Physics 121(10). p.4494-4500
- Contribution to journal › Article

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