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Excited-State Solvation Structure of Transition Metal Complexes from Molecular Dynamics Simulations and Assessment of Partial Atomic Charge Methods
Abedi, Mostafa, Levi, Gianluca, Zederkof, Diana Bregenholt, Henriksen, Niels Engholm, Pápai, Mátyás, Møller, Klaus BraagaardYear:
2019
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/c8cp06567e
File:
PDF, 3.17 MB
english, 2019