An Introduction to Theoretical Chemistry
نویسنده
چکیده
منابع مشابه
Theoretical study of tetrahedrane derivatives
Tetrahedrane is most strained and the smallest cage compound. It attracts organic chemists because ofits unusual bonding nature and highly symmetrical structure. However, many efforts to isolate theparent tetrahedrane have been unsuccessful because of the high reactivity and very short lifetimecaused by the strain in this molecule. Modeling of molecules for determination of structuralproperties...
متن کاملSnail shell as a natural and highly efficient catalyst for the synthesis of imidazole derivatives
A convenient, simple and green process for the synthesis of 2,4,5-triaryl-1H-imidazole and 1,2,4,5-tetraaryl-1H-imidazole derivatives using snail shell, which is abundant in Morocco, as a catalyst in ethanol at 40 °C has been developed. Additionally, short reaction times, excellent yields, simple procedure and relative non-toxicity of the catalyst are other noteworthy advantages and make this m...
متن کاملSnail shell as a natural and highly efficient catalyst for the synthesis of imidazole derivatives
A convenient, simple and green process for the synthesis of 2,4,5-triaryl-1H-imidazole and 1,2,4,5-tetraaryl-1H-imidazole derivatives using snail shell, which is abundant in Morocco, as a catalyst in ethanol at 40 °C has been developed. Additionally, short reaction times, excellent yields, simple procedure and relative non-toxicity of the catalyst are other noteworthy advantages and make this m...
متن کاملTheoretical investigation about the adsorption of the Sarin nerve agent on C20 fullerene and its boron-doped derivative
Sarin is a very toxic organophosphorus chemical warfare agent which has been used in different wars. According to an immediate demand of detection, secure approachs to break down this toxic nerve agent, the study on decomposition of sarin achieve significance. In this work, we have made endeavors of discovering an approach to neutralize this hazardous kind by adsorption of this molecule by C20 ...
متن کاملTheoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol
The kinetics of reaction between 4-methylaniline (1), dimethyl acetylenedicarboxylate (2) and formaldehyde (4) has been theoretically investigated to gain further insight into the reaction mechanism. The results of theoretical calculations were achieved using the ab initio method at the HF/6-311g (d, p) level of theory in gas phase. The mechanism of this reaction had 5 steps. Theoretical kineti...
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تاریخ انتشار 2003