نتایج جستجو برای: Nitrogen inversion

تعداد نتایج: 162795  

Journal: :iranian journal of chemistry and chemical engineering (ijcce) 2016
sara soleimani gorgani marjaneh samadizadeh

ab initio calculations were employed to investigate nitrogen inversion as a configuration change that can supply an infinitely useful switchable control mechanism for some complex systems. in this paper, design of a new artificial molecular nanohinge is discussed based on nitrogen inversion in which reciprocating motion of substituent in effect of inversion phenomenon, led to an open–close moti...

Journal: :iranian journal of chemistry and chemical engineering (ijcce) 1997
issa yavari davood bori shargh hossein fallah bagher shaidaii mohsen dadgar

mndo semi-empirical scf mo calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.

Fereshteh Naderi M. Hassan Khodabandeh Sedigheh Rezaeianpour

Equatorial/axial conversion in piperidine and phosphorinane with different substituents wereinvestigated with great details. Three possible routes, i.e. heteroatom inversion and two ring inversiontype were considered. Ring conversion can occur via two pathways one starts with ring flatteningfrom the heteroatom site (nitrogen in piperidine and phosphorous in phosphorinane) and the otherinitiates...

Journal: :journal of physical & theoretical chemistry 2015
fereshteh naderi m. hassan khodabandeh sedigheh rezaeianpour

equatorial/axial conversion in piperidine and phosphorinane with different substituents wereinvestigated with great details. three possible routes, i.e. heteroatom inversion and two ring inversiontype were considered. ring conversion can occur via two pathways one starts with ring flatteningfrom the heteroatom site (nitrogen in piperidine and phosphorous in phosphorinane) and the otherinitiates...

Marjaneh Samadizadeh, Sara Soleimani Gorgani

 Ab initio calculations were employed to investigate nitrogen inversion as a configuration change that can supply an infinitely useful switchable control mechanism for some <span style="letter-sp...

Davood Bori Shargh Hossein Fallah Bagher Shaidaii Issa Yavari, Mohsen Dadgar

MNDO semi-empirical SCF MO calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.

Journal: :Chemical communications 2007
Mark W Davies Adam J Clarke Guy J Clarkson Michael Shipman James H R Tucker

The molecular motion associated with atomic inversion at an aziridine nitrogen can be essentially halted by metal complexation; addition of a second chemical input that decomplexes the metal from the aziridine restores fast inversion (k=40 s(-1) at 303 K).

2014
Dasa Gu Yuhang Wang Charles Smeltzer Folkert Boersma

Inverse modeling using satellite observations of nitrogen dioxide (NO2) columns has been extensively used to estimate nitrogen oxides (NOx) emissions in China. Recently, the Global Ozone Monitoring Experiment-2 (GOME-2) and Ozone Monitoring Instrument (OMI) provide independent global NO2 column measurements on a nearly daily basis at around 9:30 and 13:30 local time across the equator, respecti...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - دانشکده علوم 1387

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

Journal: :Chemical and Pharmaceutical Bulletin 2019

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