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2008
Mark Nuclear quadrupole moment of Sn-119
Barone, Giampaolo ; Mastalerz, Remigius ; Reiher, Markus and Lindh, Roland ^LU (2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(7). p.1666-1672
- Contribution to journal › Article
Mark Embedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: Implementation and applications
Swerts, Ben ; Chibotaru, Liviu F. ; Lindh, Roland ^LU ; Seijo, Luis ; Barandiaran, Zoila ; Clima, Sergiu ; Pierloot, Kristin and Hendrickx, Marc F. A. (2008) In Journal of Chemical Theory and Computation 4(4). p.586-594
- Contribution to journal › Article
2007
Mark Unbiased auxiliary basis sets for accurate two-electron integral approximations
Aquilante, Francesco ^LU ; Lindh, Roland ^LU and Pedersen, Thomas ^LU (2007) In Journal of Chemical Physics 127(11).
- Contribution to journal › Article
Mark Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
Aquilante, Francesco ^LU ; Pedersen, Thomas ^LU and Lindh, Roland ^LU (2007) In Journal of Chemical Physics 126(19).
- Contribution to journal › Article
Mark Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
Liu, Ya-Jun ^LU ; De Vico, Luca ^LU ; Lindh, Roland ^LU and Fang, Wei-Hai (2007) In ChemPhysChem 8(6). p.890-898
- Contribution to journal › Article
Mark Analytic high-order Douglas-Kroll-Hess electric field gradients
Mastalerz, Remigius ; Barone, Giampaolo ; Lindh, Roland ^LU and Reiher, Markus (2007) In Journal of Chemical Physics 127(7).
- 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
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 Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
Söderhjelm, Pär ^LU ; Krogh, Jesper Wisborg ^LU ; Karlström, Gunnar ^LU ; Ryde, Ulf ^LU and Lindh, Roland ^LU (2007) In Journal of Computational Chemistry 28(6). p.1083-1090
- Contribution to journal › Article
Mark A combined experimental and theoretical study of uranium polyhydrides with new evidence for the large complex UH4(H-2)(6)
Raab, Juraj ^LU ; Lindh, Roland ^LU ; Wang, Xuefeng ; Andrews, Lester and Gagliardi, Laura (2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(28). p.6383-6387
- Contribution to journal › Article

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