On the population inversion of the electron states of molecules during chemiluminescent reactions thermally initiated by a shock wave

Macroscopic solvent polarization-induced

Macroscopic solvent polarization-induced reorganization of the electron density in different excited states: A study on formaldehyde molecule by a multiconfiguration self-consistent reaction-field method

✍ Chitrani Medhi; S. P. Bhattacharyya 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 321 KB 👁 2 views

A detailed study of the type and extent of electronic reorganization created by macroscopic solvation of a prototypical carbonyl solute is carried out within the framework of the semiempirical multiconfiguration self-consistent reaction-field model. The solvation causes additional polarization of th