With the hybrid B3LYP/6-31G(d) method calculated formation entropy of nitroalkanes C 1-C 4, alkyl radicals, radical decomposition reaction entropies.
квантово-химический расчет, нитроалканы, энтропия реакции, quantum-chemical calculations, nitroalkanes, entropy of reaction
1. G.M. Hrapkovskiy, A.G. Shamov, E.V. Nikolaeva, D.V. Chachkov, Uspehi himii, 78, 10, 980-1021 (2009).
2. T.F. Shamsutdinov, D.V. Chachkov, A.G. Shamov, G.M. Hrapkovskiy, Vestnik Kazanskogo tehnologicheskogo universiteta, 1-2, 37-44 (2002).
3. E.V. Ogurcova, E.A. Mazilov, G.M. Hrapkovskiy, Vestnik Kazanskogo tehnologicheskogo universiteta, 3, 12-18 (2008).
4. T.F. Shamsutdinov, D.V. Chachkov, A.G. Shamov, G.M. Hrapkovskiy, Izvestiya vuzov. Himiya i himicheskaya tehnologiya, 49, 9,38-40 (2006).
5. A.F. Shamsutdinov, D.V. Chachkov, T.F. Shamsutdinov, A.G. Shamov, G.M. Hrapkovskiy, Vestnik Kazanskogo tehnologicheskogo universiteta, 2, 31-36 (2004).
6. T.F. Shamsutdinov, D.V. Chachkov, E.V. Nikolaeva, A.G. Shamov, G.M. Hrapkovskiy, Vestnik Kazanskogo tehnologicheskogo universiteta, 2, 27-33 (2003).
7. D.D. Sharipov, D.L. Egorov, D.V, Chachkov, A.G. Shamov, G.M. Hrapkovskiy, Vestnik Kazanskogo tehnologicheskogo universiteta, 7, 45-52 (2010).
8. E.A. Mazilov, D.V. Chachkov, A.G. Shamov, G.M. Hrapkovskiy, ZhOH, 3,425-438 (2009).
9. G.M. Khrapkovskii, A.G. Shamov, G.A. Shamov, V.A. Schlyapochnikov, Russian Chemical Bulletin, 50, 6. 952-957 (2001).
10. A.G. Shamov, E.V. Nikolaeva, D.V. Chachkov, G.M. Hrapkovskiy, Vestnik Kazanskogo tehnologicheskogo universiteta, 2, 36-43 (2003).
11. G.M. Khrapkovskii, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, A.G. Shamov, THEOCHEM, 958, 1-6 (2010).
12. G.M. Khrapkovskii, A.G. Shamov, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, I.V. Aristov, Computational and Theoretical Chemistry, 966, 265-271 (2011).
13. I.V. Aristov, R.V. Cyshevskiy, D.L. Egorov, G.M. Hrapkovskiy, A.G. Shamov, Vestnik Kazanskogo tehnologicheskogo universiteta, 23, 7-11 (2011).
14. G.M. Khrapkovskii, T.F. Shamsutdinov, D.V. Chachkov, A.G. Shamov, THEOCHEM, 686,185-192 (2004).
15. D.L. Egorov, G.M. Hrapkovskiy, A.G. Shamov, Vestnik Kazanskogo tehnologicheskogo universiteta, 10, 18-21 (2010).
16. G.M. Khrapkovskii, A.G. Shamov, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, I.V. Aristov, Computational and Theoretical Chemistry, 985, 80-89 (2012).
17. G.M. Hrapkovskiy, D.V. Chachkov, A.G. Shamov, ZhOH, 71, 9, 1530-1538 (2001).
18. G.M. Hrapkovskiy, D.V. Chachkov, A.G. Shamov, ZhOH, 74, 11, 1835-1841 (2004).
