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QM/MM

Methods and Software

Surface hopping with polarizable force fields

Newton-X, G16, and Tinker together for TDDFT/LR-AMOEBA dynamics.

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By Mario Barbatti, 3 years ago
Organic photodevices

Nonadiabatic Dynamics of Anthracene-Tetracyanoethylene Complex

Protic environment creates an ion-pair CT ground state.

(more…)

By Mario Barbatti, 5 yearsApril 8, 2020 ago

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