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Density functional theory calculations on azobenzene derivatives: a comparative study of functional group effect

Piyanzina I., Minisini B., Tayurskii D., Bardeau J.

© 2014, Springer-Verlag Berlin Heidelberg. Density functional theory (DFT) calculations have been

Density functional theory calculations on azobenzene derivatives: a comparative study of functional group effect

Piyanzina I., Minisini B., Tayurskii D., Bardeau J.

© 2014, Springer-Verlag Berlin Heidelberg. Density functional theory (DFT) calculations have been

Sulfonium and Selenonium Salts as Noncovalent Organocatalysts for the Multicomponent Groebke-Blackburn-Bienaymé Reaction

Il'In M.V., Novikov A.S., Bolotin D.S.

-Blackburn-Bienaymé reaction. Kinetic analysis and density functional theory (DFT) calculations indicated that their catalytic

Statistical theory of nonuniform systems and reduced description in the density fluctuation theory

Narkevich, I. I.

the conditional correlation functions of the particle number density distribution, is suggested. An infinite

Density functional theory calculations on azobenzene derivatives: A comparative study of functional group effect

Таюрский Дмитрий Альбертович, Пиянзина Ирина Ивановна, Minisini Benoit нет, Bardeau Jean-Franсois нет, Пиянзина Ирина Ивановна

Density functional theory calculations on azobenzene derivatives: A comparative study of functional

Calculational Evaluation of the Adsorption–Desorption Behavior of Pyrolysis Products in GaAsxP1 –x Metalorganic Vapor Phase Epitaxy

Maksimov A.D., Davydkin M.A., Bagaev T.A., Andreev A.Y., Yarotskaya I.V., Ladugin M.A., Marmalyuk A.A.

Abstract—: Density functional theory calculations have been used to determine the adsorption

Density Functional Theory Study of the Metal-Catalyzed Cycloaddition of Indolyl-Allenes: Possible Reaction Pathways, Stereoselectivity, and Regioselectivity

Fang R., Feng Z., Kirillov A.M., Yang L.

of indolyl-allenes were explored by density functional theory (DFT). Three different catalytic systems, PtCl2

Investigation of complex formation between hydroxyapatite and fragments of collagen by NMR spectroscopy and quantum-chemical modeling

Aminova R., Galiullina L., Silkin N., Ulmetov A., Klochkov V., Aganov A.

. The results of DFT quantum-chemical calculations of electron and spatial structure of model compounds allowed

A quantum chemical study of an interaction between collagen fragments and calcium ions using calculations of model complexes

Aminova R., Galiullina L., Klochkov V., Aganov A.

© 2015 Springer Science+Business Media New York. Quantum chemical calculations revealed

The mechanism of reactions of phosphorus-containing molecules with chloral: Density functional theory calculations

Aminova R., Savostina L.

acid derivative, "phosphite," and chloral were for the first time studied by the density functional

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