𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Molecular Orbital Studies on the Chemiluminescence of 1,2-Dioxetanes

✍ Scribed by Tanaka, Chizuko; Tanaka, Jiro


Book ID
126930981
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
221 KB
Volume
104
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


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

Ab initio molecular orbital studies of s
✍ Willem J. Bouma; Mark A. Vincent; Leo Radom 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 438 KB

## Abstract __Ab initio__ molecular‐orbital theory with the STO‐3G and 4‐31 G basis sets has been used to study the 1,3‐sigmatropic hydrogen rearrangements: propene→propene, formic acid→formic acid, and vinyl alcohol→acetaldehyde, and the1,5‐shifts:1,3‐pentadiene→ 1,3‐pentadiene and β‐hydroxyacrole

Ab initio molecular orbital studies of p
✍ A. L. Brower; J. R. Sabin; B. Crist; M. A. Ratner 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 207 KB

## Abstract A molecular LCAO Hartree‐Fock procedure was used to calculate total energies of axially stretched normal paraffins containing up to nine carbon atoms. The results are used to model the mechanical properties of polyethylene.

Ab initio molecular orbital studies on t
✍ Ria Broer; P.Th. van Duijnen; W.C. Nieuwpoort 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 380 KB

Ab initio molecular orbital calcuiations using a contracted basis of gaussian orbitals on the system methanethiol/imidazole are reported. For the hydrogen bond S---H---N in this system, which was chosen as a mode1 for the active site of papain, a double-well potential was found at a S-N separation o