✦ LIBER ✦

The vinylidene-acetylene rearrangement. A self-consistent electron pairs study of a model unimolecular reaction

✍ Scribed by Dykstra, Clifford E.; Schaefer, Henry F.

Book ID: 126459911
Publisher: American Chemical Society
Year: 1978
Tongue: English
Weight: 620 KB
Volume: 100
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00473a009

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A Complete Active Space Self-Consistent

A Complete Active Space Self-Consistent Field (CASSCF) Study of the Reaction Mechanism of the α-Alkynone Rearrangement

✍ Jose Kaneti 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 German ⚖ 80 KB 👁 3 views

Intramolecular electron correlation in t

Intramolecular electron correlation in the self-consistent reaction field model of solvation. A MP2/6-31G** ab initio study of the NH3HCl complex

✍ Christophe Chipot; Daniel Rinaldi; Jean-Louis Rivail 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 306 KB

A self-consistent model for the study of

A self-consistent model for the study of electronic properties of hot dense plasmas in the superconfiguration approximation

✍ J.C. Pain; G. Dejonghe; T. Blenski 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 398 KB

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