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An Explicit Quantum Chemical Method for Modeling Large Solvation Shells Applied to Aminocoumarin C151 Neugebauer, Johannes; Jacob, Christoph R.; Wesolowski, Tomasz Adam; Baerends, Evert Jan 2005
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Modeling solvent effects on electron spin resonance hyperfine couplings by frozen-density embedding Neugebauer, Johannes; Louwerse, Manuel J.; Belanzoni, Paola; Wesolowski, Tomasz Adam; Baerends, Evert Jan 2005
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The merits of the frozen-density embedding scheme to model solvatochromic shifts Neugebauer, Johannes; Louwerse, Manuel J.; Baerends, Evert J.; Wesolowski, Tomasz Adam 2005