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start [2020/11/02 21:44] – tsaue | start [2020/11/19 15:16] – aspg | ||
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===== News ===== | ===== News ===== | ||
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+ | 2020-11-18 New paper: Loïc Halbert, Marta Lopez Vidal, Avijit Shee, Sonia Coriani, André Severo Pereira Gomes // Relativistic EOM-CCSD for core-excited and core-ionized state energies based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian// | ||
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2020-11-02 New paper: | 2020-11-02 New paper: | ||
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2020-03-11 New paper : Loic Halbert, Malgorzata Olejniczak, Valerie Vallet and Andre Severo Pereira Gomes : // | 2020-03-11 New paper : Loic Halbert, Malgorzata Olejniczak, Valerie Vallet and Andre Severo Pereira Gomes : // | ||
- | Investigating solvent effects on the magnetic properties of molybdate ions (MoO< | + | Investigating solvent effects on the magnetic properties of molybdate ions (MoO< |
2020-03-06 New paper : Malgorzata Olejniczak, Andre Severo Pereira Gomes and Julien Tierny : // | 2020-03-06 New paper : Malgorzata Olejniczak, Andre Severo Pereira Gomes and Julien Tierny : // | ||
A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations//, | A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations//, | ||
- | {{ : | + | {{ : |
2020-02-14 New paper: Trond Saue //et al.// : //The DIRAC code for relativistic molecular calculations | 2020-02-14 New paper: Trond Saue //et al.// : //The DIRAC code for relativistic molecular calculations |
start.txt · Last modified: 2024/02/21 16:42 by tsaue