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Vol 4, No 1 (2009) Non-empirical calculations for minimal energetic reaction pathways of hf molecule addition to acetylene and methylacetylene Abstract  similar documents
Yu. B. Kirillov, N. M. Klimenko
"... HF к молекулам ацетилена и метилацетилена. Использованы неэмпирический метод Хартри-Фока-Рутана, программа ..."
 
Vol 7, No 6 (2012) Non-empirical calculations of minimal energetic ways of addition of H2F2 and H2Cl2 molecules to acetylene and methylacetylene molecules Abstract  similar documents
Yu. B. Kirillov, N. M. Klimenko, O. N. Temkin
"... H2 F2 и H2 Cl2 к молекулам ацетилена и метилацетилена. Проведен ab initio расчет молекул H2 F2 и H2 Cl2.. Использованы ..."
 
Vol 12, No 4 (2017) STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED STATE OF MATTER. Part II. TRANSIENT STRUCTURES IN CHEMICAL REACTIONS Abstract  PDF (Eng)  similar documents
A. A. Ischenko, Y. I. Tarasov, L. Schäfer
"... возможно наблюдать движение ядер в молекулах во временном интервале, соответствующем периоду их колебаний ..."
 
Vol 14, No 6 (2019) Quantum chemical investigation of the oxidative addition reaction of allyl carboxylates to Ni(0) and Pd(0) complexes Abstract  PDF (Eng)  similar documents
K. Т. Egiazaryan, R. S. Shamsiev, V. R. Flid
"... the reaction’s activation barrier by 12.7 kcal/mol for allyl acetate and the nickel(0) triisopropylphosphite ..."
 
Vol 15, No 1 (2020) Thermodynamic properties of L-menthol in crystalline and gaseous states Abstract  PDF (Eng)  similar documents
A. V. Blokhin, Ya. N. Yurkshtovich
"... нормальных колебаний молекул–участников этих реакций. В рамках модели электростатического потенциала ..."
 
Vol 14, No 6 (2019) Carbon monoxide oxidation by oxygen in water-acetonitrile solutions of palladium(II) bromide complexes in the presence of Co(II), Fe(II) and Mn(III) phthalocyaninates Abstract  PDF (Eng)  similar documents
I. V. Oshanina, S. I. Goloborod’ko, E. A. Robinova, I. N. Rusnak, S. A. Nikiforov, S. A. Prokhorov, O. N. Temkin, O. L. Kaliya
 
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