Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data
Khrapkovskii, Grigorii M, Shamov, Alexander G, Nikolaeva, E V, Chachkov, D V
Published in Russian chemical reviews (31.10.2009)
Published in Russian chemical reviews (31.10.2009)
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Journal Article
Estimations of activation and enthalpies of reaction for HONO elimination from C2–C4 mononitroalkanes: A theoretical study
Khrapkovskii, Grigorii M., Shamov, Alexander G., Tsyshevsky, Roman V., Chachkov, Denis V., Egorov, Daniil L., Aristov, Ilia V.
Published in Computational and theoretical chemistry (01.06.2011)
Published in Computational and theoretical chemistry (01.06.2011)
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Journal Article
Estimations of activation and enthalpies of reaction for HONO elimination from C 2–C 4 mononitroalkanes: A theoretical study
Khrapkovskii, Grigorii M., Shamov, Alexander G., Tsyshevsky, Roman V., Chachkov, Denis V., Egorov, Daniil L., Aristov, Ilia V.
Published in Computational and theoretical chemistry (2011)
Published in Computational and theoretical chemistry (2011)
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Journal Article
Methane elimination from n-pentane
Tsyshevsky, Roman V., Garifzianova, Guzel G., Shamov, Alexander G., Khrapkovskii, Grigorii M.
Published in International journal of quantum chemistry (2009)
Published in International journal of quantum chemistry (2009)
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Journal Article
Formation enthalpies and bond dissociation enthalpies for C 1–C 4 mononitroalkanes by composite and DFT/B3LYP methods
Khrapkovskii, Grigorii M., Tsyshevsky, Roman V., Chachkov, Denis V., Egorov, Daniil L., Shamov, Alexander G.
Published in Journal of molecular structure. Theochem (30.10.2010)
Published in Journal of molecular structure. Theochem (30.10.2010)
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Journal Article
Formation enthalpies and bond dissociation enthalpies for C1–C4 mononitroalkanes by composite and DFT/B3LYP methods
Khrapkovskii, Grigorii M., Tsyshevsky, Roman V., Chachkov, Denis V., Egorov, Daniil L., Shamov, Alexander G.
Published in Journal of molecular structure. Theochem (01.10.2010)
Published in Journal of molecular structure. Theochem (01.10.2010)
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Journal Article