نتایج جستجو برای: nitrogen inversion
تعداد نتایج: 162795 فیلتر نتایج به سال:
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...
mndo semi-empirical scf mo calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.
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...
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...
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...
MNDO semi-empirical SCF MO calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.
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).
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...
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 ...
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