منابع مشابه
Theoretical 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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Utilization of Photodisintegration reaction of Deuterium, 2H(?,n)1H, is a precise technique for determining the percentage of 2H in tritiated and natural water. The 23Na(n,?)24Na reaction is a suitable ?-source for producing the 2H(?,n)1H reaction. Tehran Research Reactor was used as a neutron source for producing 24Na isotopes. The BF3 detectors were used to detect the neutron emission of H2 c...
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The substitution reactions of [Cr(SALM)(OH2)2] + (SALM =N, N– ethylene–bis-salicylamide) and Cr(H2O)6 3+ with ranitidine hydrochloride, an antacid have been studied spectrophotometrically over the range 0.5 × 10 ≤ [Cr(III)complex]T ≤ 3 ×10, 3.6 ≤ pH ≤ 4.2, 25C ≤ t ≤ 45C and I = 0.5 mol dm [Cr(III)complex] = ([Cr (III)(SALM)(OH2)2] or [Cr(H2O)6] ]) . This reaction follows a mechanism which takes...
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In the past [1-3], most frequently used model substrates for the peroxyester reaction included, among others, hydrocarbons containing activated hydrogen atoms, such as, cyclohexene, and ethers, such as, tetrahydrofuran. Peroxyamidate 1 (R = N(CH3)2) of acceptable purity was prepared in molar quantities by an improvement of the procedure reported by Pedersen [4] utilizing the reaction of N,N-dim...
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MNDO semi-empirical SCF MO calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.
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ژورنال
عنوان ژورنال: Progress of Theoretical Physics
سال: 1998
ISSN: 0033-068X,1347-4081
DOI: 10.1143/ptp.100.681