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Article
Quantum-chemical treatment of the mechanism of urethane formation by the extended Hückel method
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Potential curves for model reactions of urethane formation have been calculated by the extended Hückel method...
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Article
Mixed hydride complexes of rhodium with triphenylphosphine and d-α-methylbenzylamine as catalysts for homogeneous asymmetric hydrogenation reactions
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Circular dichroism, electronic spectra, and PMR methods have been used to study the formation of mixed comple...
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Article
Influence of the nature of the substituents and the medium on the mechanism and rate of proton transfer in diaryltriazenes
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Electron-donor substituants in an aryl radical of symmetric diaryltriazenes (DAT's) accelerate the prototropi...
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Article
Effect of substituents on the tautomeric equilibrium of 1(3)-(4-fluorophenyl)-3(1)-aryltriazenes in THF and pyridine
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The location of the tautomeric equilibrium of 1(3)-(4-fluorophenyl)-3(1)-aryltrizenes in THF and pyridine dep...
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Article
Nonempirical study of oxyphosphonitride (PNO) isomers
Theoretical estimates were obtained for the first time for the molecular and electronic characteristics of the singlet and triplet states of oxyphosphonitride isomers and the transition states of their interco...
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Article
Appearance of the magnetic isotope effect during the photolysis of aqueous solutions of cycloheptanone
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Article
Comparative nonempirical study and isodesmic calculations of heats of formation of HNCO and HPCO isomers
The structural, electronic, and energetic characteristics of CHNO and CHOP isomers, and also of several related compounds, were calculated by a nonempirical method. Enthalpies of these isomers, obtained using ...
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Article
Hydrogen bonds and geometry of amide groups in 2- [2-acyl-(2-isoquinolinyl)] cycloalkan-1,3-diones
The geometry of the amide groups and hydrogen bonds (formed by the enol protons and amide oxygen atoms) in 2-[2-acyl-(2-isoquinolinyl)]cycloalkan-1,3-diones has been studied by X-ray diffraction analysis. The ...
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Article
13C NMR spectra of sterol derivatives, intermediates in the synthesis of ecdy-and brassinosteroids
The13C NMR spectra of a series of steroids used to synthesize ecdy- and brassinosteroids are studied.
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Article
13C NMR spectra of β-sitosterol derivatives with oxidized rings A and B
13C NMR spectra of stigmastane steroids are studied. Signals are assigned to C atoms.
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Article
Lengthening of O−H distance of the intramolecular O−H...O hydrogen bonds in molecular systems with conjugation
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Article
The structure of benzoyldimedone from X-ray diffraction analysis
The structure of benzoyldimedone was established by X-ray diffraction analysis. The only tautomer was found. In this tautomer, the enol proton is covalently bound to the oxygen atom that is remote from the phe...
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Article
13 NMR Spectra of Functionally Substituted 3β-Chloroderivatives of Cholesterol and β-Sitosterol
13 C NMR spectra were studied and signals were assigned for C atoms of steroids 1-7