𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Hybridization effect on chemical potential and hardness — a quantum chemical study

✍ Scribed by P. Kolandaivel; S. Arulmozhiraja; R. Bhuvaneswari

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
294 KB
Volume
259
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

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 the above study, three different types of hybrid orbital molecules, CH 4, C2H 6, C2H 4 and C2H 2, have been used.

📜 SIMILAR VOLUMES

Studies of chemical hardness and chemica
Studies of chemical hardness and chemical potential on isomers and hardness profiles of hydrogen-bonded systems
✍ S. Arulmozhiraja; P. Kolandaivel 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 332 KB 👁 2 views

In the present investigation, chemical hardness and electronic chemical potential for isomers of different molecules were studied by taking into account the Ž . Ž principle of maximum hardness. Different isomers of the molecules, XC O OX X s F, . Cl , C H NO, C H , and HCNC, were considered for the

Electrical and chemical potentials in a
Electrical and chemical potentials in a quantum-mechanical conductor
✍ E.W. Fenton 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 198 KB

A time-dependent fully quantum response theory for mesoscopic systems is developed in the Heisenberg representation rather than the usual interaction representation. In the mesoscopic system itself, the difference between \(\mu_{+}\)and \(\mu_{-}\)quasi-chemical potentials for forward-direction and

Chemical Bonding in TiSb2 and VSb2: A Qu
Chemical Bonding in TiSb2 and VSb2: A Quantum Chemical and Experimental Study
✍ Marc Armbruester; Walter Schnelle; Ulrich Schwarz; Yuri Grin 📂 Article 📅 2007 🏛 John Wiley and Sons ⚖ 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.

Ortho effect in fluorobenzenes: cross-co
Ortho effect in fluorobenzenes: cross-correlated relaxation and quantum chemical studies
✍ Arunima; N. D. Kurur 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 151 KB

An early solid-state NMR study of the shielding tensors in substituted fluorobenzenes had indicated the presence of the 'ortho effect'. This was confirmed recently in the liquid state from a study of cross-correlated relaxation, which gives a handle on the shielding tensor. We report here a combined