𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Prediction of the Raman spectrum of the aqueous formate anion by a combined density functional theory and self-consistent-reaction-field study

✍ Scribed by A. L. Magalhães; S. R. R. S. Madaíl; M. J. Ramos


Publisher
Springer
Year
2000
Tongue
English
Weight
171 KB
Volume
105
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Macroscopic solvent polarization-induced
✍ 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