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The accuracy of dipole moments from spin-component scaled CC2 in ground and electronically excited states
National licenceAmerican Institute of Physics | 2011| -
Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations
National licenceRoyal Society of Chemistry | 2014| -
Heuristic control of kinetic energy in dynamic reaction coordinate calculations
Online Contents | 2013| -
Brick by brick computation of the gibbs free energy of reaction in solution using quantum chemistry and cosmo-rs
British Library Online Contents | 2017| -
Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn
Online Contents | 2007|
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