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5 results on '"Le Breton G"'

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1. Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water.

2. FROG: Exploiting all-atom molecular dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton's QM/MM polarizable embedding scheme.

3. Lessons from combined experimental and theoretical examination of the FTIR and 2D-IR spectroelectrochemistry of the amide I region of cytochrome c.

4. Molecular modeling of aqueous electrolytes at interfaces: Effects of long-range dispersion forces and of ionic charge rescaling.

5. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems.

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