Ali, J., A. Khidhir, K., Gzaar, K. (2011). Theoretical study on monosubstituted fulvenes contain Cl ,S, P, and Si elements. Part A. , 0(43), 328-335.
J.H. Ali; Kh. A. Khidhir; K.U. Gzaar. "Theoretical study on monosubstituted fulvenes contain Cl ,S, P, and Si elements. Part A". , 0, 43, 2011, 328-335.
Ali, J., A. Khidhir, K., Gzaar, K. (2011). 'Theoretical study on monosubstituted fulvenes contain Cl ,S, P, and Si elements. Part A', , 0(43), pp. 328-335.
Ali, J., A. Khidhir, K., Gzaar, K. Theoretical study on monosubstituted fulvenes contain Cl ,S, P, and Si elements. Part A. , 2011; 0(43): 328-335.

Theoretical study on monosubstituted fulvenes contain Cl ,S, P, and Si elements. Part A

Iraqi National Journal Of Chemistry
Article 1, Volume 0, Issue 43, 2014, Pages 328-335
Authors
J.H. Ali; Kh. A. Khidhir; K.U. Gzaar
Abstract
Abstract
MINDO/3-FORCES calculations have been done after complete optimization of geometry on X-monosubstituted fulvlene molecules , where X is Cl ,SH, PH2, and SiH3 . It was found that all these substituents are stabilizing . Also, all the substituents, in general, increase the dipole moment .Geometric parameters, heats of formation, orbital energies, electron densities of atoms are reported for all of these molecules.
Keywords:-MINDO/3-FORCES version 6.00 1996 program , mono substituted fulvenes with Cl, SH, PH2, and SiH3 substituents
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