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| Issue | Title | |
| Vol 6, No 5 (2011) | Theoretical study of activation barriers for the stepwise dehydrogenation of the The tetrahydroaluminate molecule | Abstract similar documents |
| A. A. Mikhaylin, N. M. Klimenko, O. P. Charkin | ||
| "... для элементарных реакций последовательного отрыва молекулярного водорода от тетрааланата титана. ..." | ||
| Vol 6, No 6 (2011) | Theoretical study of activation barriers for the stepwise dehydrogenation reactions of ammine magnesium borohydride and alumohydride complexes | Abstract similar documents |
| A. A. Mikhaylin, O. P. Charkin, N. M. Klimenko | ||
| "... В рамках метода функционала плотности (B3LYP) и метода связанных кластеров (ССSD(T)) с базисом ..." | ||
| Vol 6, No 3 (2011) | Theoretical study of the | Abstract similar documents |
| A. A. Mikhaylin, N. M. Klimenko, O. P. Charkin | ||
| "... В рамках метода функционала плотности (B3LYP) и метода связанных кластеров (ССSD(T)) с базисом ..." | ||
| 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 | ||
| "... crystalline and gaseous states. Methods. To determine the combustion energy of L-menthol in the crystalline ..." | ||
| Vol 18, No 4 (2023) | Structure of 2-nitro-2’-hydroxy-5’-methylazobenzene: Theoretical and spectroscopic study | Abstract PDF (Eng) similar documents |
| A. A. Fedorova, O. V. Lefedova, S. A. Shlykov | ||
| "... фазы на уровнях B3LYP/6-311++G(d, p) и M06-2X/6-311++G(d, p), для гексана, 2-пропанола, толуола ..." | ||
| Vol 6, No 5 (2011) | Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes | Abstract similar documents |
| O. P. Charkin, N. M. Klimenko | ||
| "... семейств элементарных реакций: 1) последовательного дегидрирования комплексных аланатов легких щелочных ..." | ||
| Vol 6, No 4 (2011) | Thermodynamic stability of isomers of mono- and dianions of dicarba-nido-undecaborates | Abstract similar documents |
| S. P. Knyazev, A. Yu. Kostiokovitch | ||
| "... В приближениях B3LYP/6-31G**, B3LYP/6-311+G** M062X/6-311+G**, MP2/6-311+G**, PCM/B3LYP/6-311 ..." | ||
| Vol 2, No 1 (2008) | Theoretical study of acidity of dicarbacloso-dodecaboranes(12) and their chloroderivatives | Abstract similar documents |
| S. Р. Knyazev, E. G. Gordeev, E. A. Chernyshev | ||
| "... етодами RHF, DFT(B3LYP) и MP2 (базисы 6-31G** и 6-311++G**) проведен квантовохимический расчёт ..." | ||
| 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 | ||
| "... . В то же время известно, что химические реакции носят динамический характер, а элементарный акт химической ..." | ||
| Vol 15, No 4 (2020) | The reactivity of cinnamic acid derivatives as lignin precursors | Abstract PDF (Eng) similar documents |
| O. K. Karimov, G. Y. Kolchina, G. A. Teptereva, I. A. Chetvertneva, E. K. Karimov, A. R. Badretdinov | ||
| "... . Conclusions. Two different methods were used to calculate the geometric, electronic, and energy parameters ..." | ||
| Vol 5, No 3 (2010) | Linear free energy relationships in theoretical NMR 13С spectra of sin-[(1-R-η3 -C3H4)Pd(Me2C=O)2]+ complexes | Abstract similar documents |
| M. H. Elhussien, E. M. Evstigneeva, V. R. Flid | ||
| "... Both theoretical values of NMR 13С chemical shifts and frontier orbital energies (DFT method ..." | ||
| Vol 11, No 3 (2016) | The role of the interfacial layer in time -temperat ure dependence of the electrical resistance of hi gh-density polyethylene /carbon black composites | Abstract PDF (Eng) similar documents |
| N. N. Komova | ||
| "... energy of increasing resistance in the initial period of the sample treatments is calculated. It is shown ..." | ||
| Vol 2, No 3 (2007) | Electron-rich metal phenanthrocyanine – new class of tetraazachromophor complexes of d-elements | Abstract similar documents |
| V. N. Demidov, V. G. Puzenko, A. I. Savinova, N. S. Panina, T. B. Pachomova, L. N. Vedeneeva, S. A. Simanova | ||
| "... 1,10-фенантролинов, связанные с металл-промотированием, а также с элементарными процессами электронного ..." | ||
| Vol 2, No 5 (2007) | Fermi contact couplings in fluoroalkylsubstituted -radicals. Relay charge effect of luмо and homo and its quantum chemical modeling by means of indo calculations | Abstract similar documents |
| D. M. Smekalkin, B. K. Novosadov, E. A. Polenov | ||
| Vol 8, No 3 (2013) | Linear relationship between 13C NMR chemical shifts and electronic chemical potential, chemical hardness and electrophilicity index of allylic Pd(II) complexes | Abstract similar documents |
| Е. М. Evstigneeva, I. E. Sokolov, S. . Yagubpur | ||
| Vol 7, No 3 (2012) | On the non-loсal theory of the high-temperature superconductivity | Abstract similar documents |
| B. V. Alexeev | ||
| Vol 5, No 5 (2010) | Methods of synthesis of nanoparticles and their dimensionsensitive physical parameters | Abstract similar documents |
| L. I. Boguslavsky | ||
| Vol 13, No 2 (2018) | SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS | Abstract similar documents |
| A. V. Ezhov, F. Yu. Vyalba, K. A. Zhdanova, A. F. Mironov, K. Yu. Zhizhin, N. A. Bragina | ||
| Vol 5, No 4 (2010) | Catalytic conversion of bio-ethanol. Review. | Abstract similar documents |
| V. F. Tretyakov, Y. I. Makarfi, R. M. Talyshinsky, N. A. Frantsuzova, K. V. Tretyakov | ||
| 1 - 19 of 19 Items | ||
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