Search Results - "Akhmedova, Rena G."

Structural elucidation of nitro-substituted five-membered aromatic heterocycles utilizing GIAO DFT calculations by Katritzky, Alan R., Akhmedov, Novruz G., Doskocz, Jacek, Hall, C. Dennis, Akhmedova, Rena G., Majumder, Suman

“…The GIAO (Gauge Including Atomic Orbitals) DFT (Density Functional Theory) method is applied at the B3LYP/6–31+G(d,p)//B3LYP/6–31+G(d),…”
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Direct nitration of five membered heterocycles by Katritzky, Alan R., Scriven, Eric F.V., Majumder, Suman, Akhmedova, Rena G., Akhmedov, Novruz G., Vakulenko, Anatoliy V.

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A convenient access to 1-substituted-2-azinyl-1-ethanones via acylation of alkylated azines with N-acylbenzotriazoles by Katritzky, Alan R., Abdel-Fattah, Ashraf A. A., Akhmedova, Rena G.

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One-bond and long-range coupling constants of substituted 2-cyanopyridines. GIAO/DFT calculations of proton and carbon chemical shifts and coupling constants by Katritzky, Alan R., Akhmedov, Novruz G., Güven, Alâattin, Scriven, Eric F.V., Majumder, Suman, Akhmedova, Rena G., Hall, C. Dennis

“…The magnitude of one bond and long-range coupling constants ( n J HH and n J CH) in isomeric cyanopyridines-( 1, 2, 3), methyl-( 4, 5, 6, 7), 3-ethyl-( 8),…”
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gNMR simulated 1H and proton-coupled 13C NMR spectra of substituted 3-nitropyridines. GIAO/DFT calculated values of proton and carbon chemical shifts and coupling constants by Katritzky, Alan R., Akhmedov, Novruz G., Güven, Alâattin, Doskocz, Jacek, Akhmedova, Rena G., Majumder, Suman, Dennis Hall, C.

“…The magnitude of one bond and long-range coupling constants in 3-nitropyridine 1 and its derivatives 2– 16 were determined from the proton-coupled 13C NMR…”
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