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start [2020/03/07 20:37] – aspg | start [2020/04/14 17:08] – [News] visscher | ||
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===== News ===== | ===== News ===== | ||
- | 2020-03-06 New paper : Malgorzata Olejniczak, | + | 2020-01-20 New paper: Susi Lehtola, Lucas Visscher, Eberhard Engel: //Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets//, J. Chem. Phys. 152 (2020) 144105 [[ https:// |
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+ | 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: | ||
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+ | 2020-03-11 New paper : Loic Halbert, | ||
+ | Investigating solvent effects on the magnetic properties of molybdate ions (MoO< | ||
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+ | 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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start.txt · Last modified: 2024/02/21 16:42 by tsaue