Gyroscopic tensor ab initio calculation of the molecular crystals: (Mo6X14)2−Y−(TTF+)3 (X=Br, Cl and Y=Br, Cl, I)

Journal article

Peer reviewed

A. Dhouib, K. Essalah, B. Tangour and M. Abderraba

International journal of quantum chemistry, Vol.87(4), pp.220-224

2002

Abstract

ab initio calculation

ESR

gyroscopic tensor

structural distortions

tetrathiafulvalene (TTF)

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Title: Gyroscopic tensor ab initio calculation of the molecular crystals: (Mo6X14)2−Y−(TTF+)3 (X=Br, Cl and Y=Br, Cl, I)
Creators - without role: A. Dhouib - Theoretical Chemistry Unity, Laboratoire de Physico-Chimie Moléculaire, Institut Préparatoire des Etudes Scientifiques et Techniques, Boite postale 51, 2070 La Marsa, Tunisia
K. Essalah - Theoretical Chemistry Unity, Laboratoire de Physico-Chimie Moléculaire, Institut Préparatoire des Etudes Scientifiques et Techniques, Boite postale 51, 2070 La Marsa, Tunisia
B. Tangour - Theoretical Chemistry Unity, Laboratoire de Physico-Chimie Moléculaire, Institut Préparatoire des Etudes Scientifiques et Techniques, Boite postale 51, 2070 La Marsa, Tunisia
M. Abderraba - Theoretical Chemistry Unity, Laboratoire de Physico-Chimie Moléculaire, Institut Préparatoire des Etudes Scientifiques et Techniques, Boite postale 51, 2070 La Marsa, Tunisia
Publication Details: International journal of quantum chemistry, Vol.87(4), pp.220-224
Publisher: Wiley Subscription Services, Inc., A Wiley Company
Identifiers: 9915464008331
Academic Unit: Imam Abdulrahman Bin Faisal University
Language: English
Resource Type: Journal article