𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Conformational analysis of malonic acid and its derivatives: ab initio, CNDO/2 and empirical calculations

✍ Scribed by D. Ajò; I. Fragalà; G. Granozzi; E. Tondello

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
588 KB
Volume
38
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Infrared and Raman spectra, conformation
Infrared and Raman spectra, conformational analysis, ab initio calculations and vibrational assignment of 2-chloroethylsilyl chloride
✍ Chunhua Pan; Gamil A. Guirgis; James R. Durig 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 279 KB

The infrared (3100-40 cm K1 ) spectra of gaseous and solid and Raman (3200-20 cm K1 ) spectra of liquid 2-chloroethylsilyl chloride, ClCH 2 CH 2 SiH 2 Cl, have been recorded. There are five possible stable conformers, Gg, Tg, Gt, Tt and Gg 0 for this molecule where the capital letter G (gauche) or T

Conformational analysis of 4h-1,3,2-benz
Conformational analysis of 4h-1,3,2-benzodioxaphosphorin 2-sulfides with ab initio molecular orbital calculations
✍ Yasuyuki Kurita; Chiyozo Takayama; Mitsuru Sasaki 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 368 KB 👁 1 views

Among some 2-substituted 4H-1,3,2-benzodioxaphosphorin 2-sulfides, the 2-OMe derivative has the sulfur atom mainly in the quasiequatorial position. On the other hand, the conformation in which the sulfur is quasiaxial is favored in the 2-NHMe and 2-Et derivatives. We have done ab initio molecular or