𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Norcorrole and Dihydronorcorrole: A Predictive Quantum Chemical Study

✍ Scribed by Abhik Ghosh; Ingar H. Wasbotten; Wade Davis; Jannie C. Swarts


Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
335 KB
Volume
2005
Category
Article
ISSN
1434-1948

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A quantum-chemical study of BCN
✍ J.B. Moffat πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 355 KB
Hybridization effect on chemical potenti
✍ P. Kolandaivel; S. Arulmozhiraja; R. Bhuvaneswari πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 294 KB

The hybridization effect on two important quantities, chemical hardness and chemical potential, has been studied by HF-SCF theory using a 6-31G basis set. The maximum hardness principle has been tested for C-C and C-H symmetric stretching with positive and negative mean amplitudes of vibration. For

Electronic structure and reactivity of g
✍ Ahmed Mehdi; Legesse Adane; Dhilon S. Patel; Prasad V. Bharatam πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 685 KB

## Abstract Electronic structure analysis of guanylthiourea (GTU) and its isomers has been carried out using quantum chemical methods. Two major tautomeric classes (thione and thiol) have been identified on the potential energy (PE) surface. In both the cases conjugation of pi‐electrons and intramo

Infrared and Quantum-Chemical Studies of
✍ D.C. McKean; I. Torto πŸ“‚ Article πŸ“… 2002 πŸ› Elsevier Science 🌐 English βš– 156 KB

Infrared spectra of (CH 3 ) 2 SiH 2 and (CH 3 ) 2 SiD 2 have been reinvestigated. Quantum-chemical calculations of geometry and force fields have been made at the HF, MP2, and B3LYP levels, followed by scaling of the force field with 14 independent parameters. Several vibration frequencies are reass

Chemical Bonding in TiSb2 and VSb2: A Qu
✍ Marc Armbruester; Walter Schnelle; Ulrich Schwarz; Yuri Grin πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons βš– 13 KB

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.