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Theoretical chemistry

Photochemistry and photophysics Spectroscopy

Photodynamics of sinapate esters: a matter of shape

Excited-state lifetime is deeply affected by the conical intersection topography.

(more…)
By Mario Barbatti, 2 yearsSeptember 23, 2023 ago
Photochemistry and photophysics Spectroscopy

Temperature-dependence in adenosine internal conversion

Intramolecular energy transfer at low temperatures delays adenosine’s internal conversion.

(more…)
By Mario Barbatti, 2 yearsSeptember 23, 2023 ago
Photochemistry and photophysics Spectroscopy

Phosphorescence lifetime of aromatic carbonyls

Phosphorescence of aromatic carbonyls takes much longer from ππ* than from nπ*. We explain why.

(more…)
By Mario Barbatti, 2 yearsAugust 18, 2023 ago
Photochemistry and photophysics

Classification of Doubly Excited Molecular Electronic States

A physically motivated definition of doubly excited character based on density matrices is proposed.

(more…)

By Mario Barbatti, 2 years ago

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