𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An experimental and ab inttio molecular orbital study of benzaldehyde and isomeric phthalaldehydes

✍ Scribed by H. Lumbroso; G. Liégeois; G.C. Pappalardo; V. Librando


Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
996 KB
Volume
62
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Conformational analysis of allylamine. A
✍ James Kao; Jeffrey I. Seeman 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 575 KB

The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli

Ab initio molecular orbital study of 1-f
✍ G. I. Csonka; P. Hencsei 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 828 KB

## Abstract The molecular geometry of 1‐fluorosilatrane was optimized fully by restricted Hartree–Fock (HF) calculations using the 3‐21G, 3‐21G(__d__) and 6‐31G(__d__) basis sets, with the aim of locating the positions of the local minima on the energy hypersurface. The optimized geometries were co

Magnetic circular dichroism and molecula
✍ Akio Tajiri; Masahiko Fukuda; Masahiro Hatano; Masafumi Yasunami; Atsushi Takagi 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 312 KB

111~ absorption and \lCI> qxctra of isomeric azulcncitropones UXTC mcasurcd to sbo\v that they csist in different structures in CI-~CO,II and CH3Oil. A semi-empirical LCAO SlO WI-Cl calculation revcalcd tbc clcctronir transitions cbaracteristic ol' the szulenotroponc skclcton and interpreted tbc spe