✦ LIBER ✦

Structure of the CCl3CCl=NCH2C6H5molecule and reorientations of its CCl3group, according to ab initio calculations

✍ Scribed by G. B. Soifer; V. P. Feshin

Book ID: 111459350
Publisher: Springer
Year: 2007
Tongue: English
Weight: 39 KB
Volume: 77
Category: Article
ISSN: 1070-3632
DOI: 10.1134/s1070363207080129

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The temperature dependence of electron a

The temperature dependence of electron attachment to CCl4, CHCl3 and C6H5CH2Cl

✍ John M. Warman; Myran C. Sauer Jr. 📂 Article 📅 1971 🏛 Elsevier Science ⚖ 643 KB

The Structure of DMF · HCl and DMF · (HC

The Structure of DMF · HCl and DMF · (HCl)2 Complexes according to ab initio Calculations

✍ I. S. Kislina; N. B. Librovich; V. D. Maiorov; E. G. Tarakanova; G. V. Yukhnevic 📂 Article 📅 2002 🏛 Springer 🌐 English ⚖ 33 KB

Structure and Barrier to Internal Rotati

Structure and Barrier to Internal Rotation of Trichloroacetyl Chloride Molecules, According to ab initio Calculations

✍ V. P. Feshin; G. B. Soifer 📂 Article 📅 2003 🏛 Springer 🌐 English ⚖ 39 KB

Electronic structure of silicon nitride

Electronic structure of silicon nitride according to ab initio quantum-chemical calculations and experimental data

✍ S. S. Nekrashevich; V. A. Gritsenko; R. Klauser; S. Gwo 📂 Article 📅 2010 🏛 Springer 🌐 English ⚖ 450 KB

A novel ab initio approach to problems o

A novel ab initio approach to problems of electronic structure calculations of the gas-solid interface

✍ William H. Fink; Aldona M. Butkus; Jesus P. Lopez 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 862 KB

A new SCF procedure and its applications

A new SCF procedure and its applications to ab initio calculations of the states of the fluorosulphate radical

✍ I. H. Hillier; V. R. Saunders 📂 Article 📅 1970 🏛 John Wiley and Sons 🌐 English ⚖ 675 KB

## Abstract __Ab initio__ calculations using a small Gaussian basis set, including 3__d__ orbitals on the sulphur atom, have been performed on the fluorosulphate radical and the related ions SO~3~F^+^ and SO~3~F^−^. A new SCF procedure is described and applied to the open shell cases discussed here