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Excited-state dynamics

Photochemistry and photophysics

Decoding the Photophysics of Methyl Ferulate for UV Filters

Methyl ferulate: protection efficiency with minimal photochemical degradation.

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By Mario Barbatti, 4 months ago
Methods and Software

Nonadiabatic Dynamics: Pushing Boundaries Beyond the Ultrafast Regime

Long timescale dynamics are possible but still challenging.

(more…)

By Mario Barbatti, 5 months ago
Photochemistry and photophysics

Ultrafast internal conversion at large energy gaps

Dynamics simulations show 100-fs internal conversion at 0.5-eV gaps.

(more…)

By Mario Barbatti, 3 yearsMay 12, 2022 ago
Photochemistry and photophysics

Heating and cooling a chromophore after photoexcitation

How long does it take to transfer energy from a hot molecule to a solvent? We have the answer.

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By Mario Barbatti, 3 years ago
Methods and Software

Simulations of molecular photodynamics in long timescales

Step-by-step, everything we need for nanosecond simulations.

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By Mario Barbatti, 3 years ago
Photochemistry and photophysics

Novel Molecular Light-to-Heat Converters

Barbituric derivatives are a green option for photothermal applications.

(more…)

By Mario Barbatti, 4 years ago
Photochemistry and photophysics

Photophysics of UVA Filters Based on Meldrum Derivatives

Meldruns photophysics follows a two-step logistic decay through a charge-transfer state.

(more…)

By Mario Barbatti, 4 years ago
Photochemistry and photophysics

A New Generation UV‑A Filters

Meldrum phenolics proposed as a new class of UV-A filters.

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By Mario Barbatti, 4 yearsDecember 23, 2020 ago
Methods and Software

Dynamics Induced by Sunlight

New method allows excited-state simulations induced by thermal light.

(more…)

By Mario Barbatti, 5 yearsJuly 8, 2020 ago

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