Graph-theoretical parameters for π-MO calculation of phenols from DFT-calculated energies: application to charge-transfer complexes

Author： Tiwary Amit K. Mukherjee Asok

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.106, Iss.19, 2008-10, pp. : 2271-2276

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

Related content

SCF calculation of the effective parameters for the Hubbard model of TCNQ charge-transfer salts

By Ratner Mark Sabin John Ball E.E.

Molecular Physics, Vol. 26, Iss. 5, 1973-11 ,pp. : 1177-1184

Taylor & Francis Ltd

Access to resources Recommend Favorite

Magnetic properties of new charge-transfer complexes based on porphyrins

By Kelemen Marc Wachter Christoph Winter Hubert Dormann Elmar Gompper Rudolf Hermann Dominik

Molecular Physics, Vol. 90, Iss. 3, 1997-02 ,pp. : 407-414

Taylor & Francis Ltd

Access to resources Recommend Favorite

XPS studies of charge-transfer interactions in some pyridine: organic-acceptor complexes

By Kang E.T. Neoh K.G. Tan K.L.

Molecular Physics, Vol. 70, Iss. 6, 1990-08 ,pp. : 1057-1064

Taylor & Francis Ltd

Access to resources Recommend Favorite

Spectrophotometric and E.P.R. study of TCNE charge-transfer complexes

By Stewart Frank Eisner Melvin

Molecular Physics, Vol. 12, Iss. 2, 1967-01 ,pp. : 173-183

Taylor & Francis Ltd

Access to resources Recommend Favorite

ERASABLE OPTICAL SWITCHING IN SEMICONDUCTOR ORGANIC CHARGE-TRANSFER COMPLEXES

Le Journal de Physique Colloques, Vol. 44, Iss. C3, 1983-06 ,pp. : C3-1597-C3-1604

Edp Sciences

Access to resources Recommend Favorite