SCF : X  pictures of elementary bonding in some simple hydrocarbons

Author： Boudreaux D.S.  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.32, Iss.1, 1976-07, pp. : 145-149

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

The electronic structures of the acetylene, diacetylene, ethylene and butatriene molecules have been calculated using the SCF : X  method. Ionization energies are in excellent agreement with experiment. Electron charge distributions are mapped for the pi bonds of the larger molecules.

Related content

The effect of one-centre exchange integrals on the coupling constants in some simple hydrocarbons and their derivatives

By Ditchfield R.  

Molecular Physics, Vol. 17, Iss. 1, 1969-01 ,pp. : 33-39 (7)

Taylor & Francis Ltd

Access to resources Recommend Favorite

On the bonding of the ions PO 4 3- , SO 4 2- , ClO 4 - , ClO 3 - and CO 3 2- as studied by X-ray spectroscopy and ab initio SCF-MO calculations

By Connor J.A.   Hillier I.H.   Saunders V.R.   Barber M.  

Molecular Physics, Vol. 23, Iss. 1, 1972-01 ,pp. : 81-90 (10)

Taylor & Francis Ltd

Access to resources Recommend Favorite

Interference Effects in the Valence Shell ionization of Simple Hydrocarbons

By  

Journal of Physics: Conference Series , Vol. 488, Iss. 1, 2014-04 ,pp. : 130-135 (6)

IOP Publishing

Access to resources Recommend Favorite

A semi-empirical LCAO-SCF molecular orbital treatment of some substituted benzenes

By Clark D.T.   Emsley J.W.  

Molecular Physics, Vol. 12, Iss. 4, 1967-01 ,pp. : 365-376 (12)

Taylor & Francis Ltd

Access to resources Recommend Favorite

The chemisorption of O 2 and CO on Pt metal: an SCF-X study

By El-Issa B.D.   Hinchliffe A.  

Molecular Physics, Vol. 39, Iss. 6, 1980-04 ,pp. : 1463-1470 (8)

Taylor & Francis Ltd

Access to resources Recommend Favorite