نتایج جستجو برای: bond length

تعداد نتایج: 373906  

Hossein Anaraki Ardakani Javad Azizian, Mahdieh Entezari, Shahab Zomorodbakhsh

Ab initio HF/6-31G* Methode was employed to calculate the bond length in 2- phosphinanes when electronegative groups was at C-2 tend axial and equatorial positions. The magnitude of the anomeric effect depends on the nature of the substituent, the effect of the substituent can be seen by comparing the bond length in 2-chloro and 2- boromo substituented phosphinanes. The effect of anomeric effec...

Hossein Anaraki Ardakani Javad Azizian, Shahab Zomorodbakhsh

Ab initio HF/6-31G* Methode was employed to calculate  the bond length in 2- phosphinanes  when electronegative groups was at C-2 tend axial and equatorial positions. The magnitude of  the anomeric effect depends on the nature of the substituent, the effect of the substituent can be seen by comparing the bond length in 2-chloro and 2-boromo substituented phosphinanes. The effect of anomeric eff...

Hossein Anaraki Ardakanib Javad Azizian, Mahdieh Entezari, Shahab Zomorrodbakhsh

Ab initio HF/6-31G* Methode was employed to calculate  the bond length in 2- phosphinanes  when electronegative groups was at C-2 tend axial and equatorial positions. The magnitude of  the anomeric effect depends on the nature of the substituent, the effect of the substituent can be seen by comparing the bond length in 2-chloro and 2-boromo substituented phosphinanes. The effect of anomeric eff...

Javad Azizian Mahdieh Entezari, Shahab Zomorod bakhsh

The internal strain in cyclic amides are explained as a factor of resonance that are effected on the bond length C-N  and are a major factor of rates of hydrolysis. The cyclic amides in this study are optimized by Gaussian program and the bond length of C-N in the rings are studied by HF/6-31G*.

Mahdieh Entezari, Shahab Zomorod bakhsh

The internal strain in cyclic amides are explained as a factor of resonance that are effected on the bond length C-N  and are a major factor of rates of hydrolysis. The cyclic amides in this study are optimized by Gaussian program and the bond length of C-N in the rings are studied by HF/6-31G*.  

Javad Azizian, Mahdieh Entezari, Shahab Zomorod bakhsh

The internal strain in cyclic amides are explained as a factor of resonance that are effected on the bond length C-N and are a major factor of rates of hydrolysis. The cyclic amides in this study are optimized by Gaussian program and the bond length of C-N in the rings are studied by HF/6-31G*.

This research has been carried out to study and find a rather general description for a lone pairorbital in molecules. Since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; theFSGO method including optimization has been used to obtain orbital parameters and energy. Theproposed models for...

Journal: :physical chemistry and electrochemistry 0

this research has been carried out to study and find a rather general description for a lone pairorbital in molecules. since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; thefsgo method including optimization has been used to obtain orbital parameters and energy. theproposed models for...

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