Thermal transformations of urea in ethylene glycol: III. Transformation of 2-hydroxyethyl carbamate into ethylene carbonate
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| 024 | 7 | 0 | |a 10.1134/S1070428015060032 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1134/S1070428015060032 | ||
| 245 | 0 | 0 | |a Thermal transformations of urea in ethylene glycol: III. Transformation of 2-hydroxyethyl carbamate into ethylene carbonate |h [Elektronische Daten] |c [A. Samuilov, A. Valeev, F. Balabanova, Ya. Samuilov, A. Konovalov] |
| 520 | 3 | |a The mechanism of transformation of 2-hydroxyethyl carbamate into ethylene carbonate was studied at the DFT B3LYP and M06 levels of theory. The reactions proceed through pre- and post-reaction complexes and cyclic transition states. The free energy barrier decreases when ethylene glycol molecule or zinc oxide is involved. | |
| 540 | |a Pleiades Publishing, Ltd., 2015 | ||
| 700 | 1 | |a Samuilov |D A. |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | |
| 700 | 1 | |a Valeev |D A. |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | |
| 700 | 1 | |a Balabanova |D F. |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | |
| 700 | 1 | |a Samuilov |D Ya |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | |
| 700 | 1 | |a Konovalov |D A. |u Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center, Russian Academy of Sciences, ul. Arbuzova 8, 420088, Kazan, Tatarstan, Russia |4 aut | |
| 773 | 0 | |t Russian Journal of Organic Chemistry |d Pleiades Publishing |g 51/6(2015-06-01), 836-841 |x 1070-4280 |q 51:6<836 |1 2015 |2 51 |o 11178 | |
| 856 | 4 | 0 | |u https://doi.org/10.1134/S1070428015060032 |q text/html |z Onlinezugriff via DOI |
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| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1134/S1070428015060032 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Samuilov |D A. |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Valeev |D A. |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Balabanova |D F. |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Samuilov |D Ya |u Kazan National Research Technological University, ul. K. Marksa 68, 420015, Kazan, Tatarstan, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Konovalov |D A. |u Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center, Russian Academy of Sciences, ul. Arbuzova 8, 420088, Kazan, Tatarstan, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Russian Journal of Organic Chemistry |d Pleiades Publishing |g 51/6(2015-06-01), 836-841 |x 1070-4280 |q 51:6<836 |1 2015 |2 51 |o 11178 | ||
| 986 | |a SWISSBIB |b 510022839 | ||