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===== News ===== | ===== News ===== | ||
- | 2020-03-06 New paper : Malgorzata Olejniczak, | + | 2020-03-11 New paper : Loic Halbert, |
+ | 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 | ||
A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations//, | A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations//, | ||
{{ : | {{ : | ||
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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 | ||
//, submitted. ([[https:// | //, submitted. ([[https:// | ||
- | 2020-01-20 New paper: Nanna Holmgaard List, Timothé Romain Léo Melin, Martin van Horn and Trond Saue: //Beyond the electric-dipole approximation in simulations of X-ray absorption spectroscopy: | + | 2020-01-20 New paper: Nanna Holmgaard List, Timothé Romain Léo Melin, Martin van Horn and Trond Saue: //Beyond the electric-dipole approximation in simulations of X-ray absorption spectroscopy: |
2019-12-12 **DIRAC19** is [[http:// | 2019-12-12 **DIRAC19** is [[http:// | ||
- | 2019-07-15 New paper: Yongliang Hao et al., // High accuracy theoretical investigations of CaF, SrF, and BaF and implications for laser-cooling//, | + | 2019-10-14 New paper: Sophie Kervazo //et al.//, //Accurate Predictions of Volatile Plutonium Thermodynamic Properties//, |
+ | |||
+ | 2019-07-15 New paper: Yongliang Hao //et al.//, // High accuracy theoretical investigations of CaF, SrF, and BaF and implications for laser-cooling//, | ||
2019-05-30 New paper: Paul S. Bagus, Connie J. Nelin, C. R. Brundle and Scott A. Chambers,// A New Mechanism for XPS Line Broadening: The 2p-XPS of Ti(IV)//, The Journal of Physical Chemistry C 123, 7705 (2019) [[https:// | 2019-05-30 New paper: Paul S. Bagus, Connie J. Nelin, C. R. Brundle and Scott A. Chambers,// A New Mechanism for XPS Line Broadening: The 2p-XPS of Ti(IV)//, The Journal of Physical Chemistry C 123, 7705 (2019) [[https:// |
start.txt · Last modified: 2024/02/21 16:42 by tsaue