| 期 |
标题 |
文件 |
| 卷 67, 编号 3 (2018) |
Quantum chemical analysis of mechanisms of phenylacetylene and styrene hydrogenation to ethylbenzene on the Pd{111} surface |
|
|
Shamsiev R., Danilov F., Flid V.
|
| 卷 65, 编号 8 (2016) |
Quantum chemical approaches to the study of Fe—S bond in Roussin’s red esters: replacement of functional ligands by glutathione |
|
|
Emel’yanova N., Sanina N., Aldoshin S.
|
| 卷 65, 编号 3 (2016) |
Quantum chemical modeling of nanostructured silicon Sin (n = 2—308). The snowball-type structures |
|
|
Zyubina T., Zyubin A., Dobrovolsky Y., Volokhov V.
|
| 卷 66, 编号 3 (2017) |
Quantum chemical modeling of phenylacetylene and styrene adsorption over Pd21 cluster |
|
|
Shamsiev R., Danilov F., Morozova T.
|
| 卷 66, 编号 10 (2017) |
Quantum chemical modeling of possible reactions of mononuclear iron nitrosyl complex [Fe(SC(NH2)2)2(NO)2]Cl•H2O in an aqueous solution |
|
|
Emel´yanova N., Shmatko N., Sanina N., Aldoshin S.
|
| 卷 66, 编号 12 (2017) |
Quantum chemical modeling of superbase-catalyzed reactions of acetophenone and methyl mesityl ketone with acetylene |
|
|
Kobychev V., Orel V., Zankov D., Vitkovskaya N., Trofimov B.
|
| 卷 65, 编号 8 (2016) |
Quantum chemical modeling of the degradation of the polymer matrix and solvent molecules in nanocomposite polymer gel electrolytes |
|
|
Tulibaeva G., Shestakov A., Chernyak A., Volkov V., Khatmullina K., Yudina A., Ignatova A., Yarmolenko O.
|
| 卷 65, 编号 3 (2016) |
Quantum chemical modeling of the enthalpy of formation for guanidinium bitetrazole salts |
|
|
Khakimov D., Pivina T.
|
| 卷 66, 编号 2 (2017) |
Quantum chemical modeling of valence tautomeric adducts of CoII bischelates with pyrene-4,5-diimines |
|
|
Minkin V., Starikova A., Starikov A.
|
| 卷 66, 编号 6 (2017) |
Quantum chemical studies of azoles |
|
|
Chuvylkin N., Subbotin A., Belov S., Belen´kii L.
|
| 卷 66, 编号 5 (2017) |
Quantum chemical studies of azoles 10. Transition states in the routes of electrophilic substitution in 1H-tetrazole via the elimination—addition mechanism without preliminary formation of N-protonated azolium salts |
|
|
Chuvylkin N., Subbotin A., Belen´kii L.
|
| 卷 67, 编号 11 (2018) |
Quantum chemical studies of azoles 13. Specific solvation effect on the calculated energetic parameters of the electrophilic substitution mechanism in thiazole via elimination–addition schemes |
|
|
Belen’kii L., Nesterov I., Chuvylkin N.
|
| 卷 65, 编号 4 (2016) |
Quantum chemical studies of azoles 6. The effect of specific solvation on the calculated thermodynamic parameters of electrophilic substitution in tetrazole according to the elimination—addition scheme without preliminary formation of N-protonated azolium salts |
|
|
Chuvylkin N., Subbotin A., Belen´kii L.
|
| 卷 65, 编号 7 (2016) |
Quantum chemical studies of azoles 7. N-alkyl substituent effect on calculated thermodynamic parameters of the electrophilic substitution mechanism in 1H-tetrazole via elimination–addition scheme without preceding formation of N-protonated azolium salts |
|
|
Chuvylkin N., Subbotin A., Belen’kii L.
|
| 卷 65, 编号 7 (2016) |
Quantum chemical studies of azoles 8. Effect of N(2)-methyl substituent on the calculated thermodynamic parameters of electrophilic substitution in tetrazole according to the elimination–addition scheme without preceding formation of N-protonated azolium salts |
|
|
Belen’kii L., Subbotin A., Chuvylkin N.
|
| 卷 65, 编号 11 (2016) |
Quantum chemical studies of azoles 9. Tetrazole halogenation according to the elimination—addition scheme without preliminary formation of N-protonated azolium salts |
|
|
Belen’kii L., Subbotin A., Chuvylkin N.
|
| 卷 65, 编号 3 (2016) |
Quantum chemical studies of pyrimidin-4-ones Part 6. On peculiarities of the reactions with nitrating agents of some carboxylic acids of the thieno[2,3-d]pyrimidin-4-one series and their esters |
|
|
Mamarakhmonov M., Belen’kii L., Chuvylkin N., Asqarov I.
|
| 卷 66, 编号 9 (2017) |
Quantum chemical study of binuclear adducts of cobalt azomethine complexes with pyrene-4,5,9,10-tetraimine |
|
|
Minkin V., Starikova A., Starikov A.
|
| 卷 66, 编号 4 (2017) |
Quantum chemical study of ferrocene derivatives 1. Arylation reactions with aminobenzoic acids |
|
|
Mamarakhmonov M., Belen´kii L., Djurayev A., Chuvylkin N., Askarov I.
|
| 卷 66, 编号 4 (2017) |
Quantum chemical study of ferrocene derivatives 2. Arylation reactions with aminophenols |
|
|
Mamarakhmonov M., Belen´kii L., Chuvylkin N., Askarov I.
|
| 卷 67, 编号 7 (2018) |
Quantum chemical study of formation of CuII–YIII metallamacrocyclic complexes based on glycinehydroximate ligands |
|
|
Zhigulin G., Zabrodina G., Katkova M., Ketkov S.
|
| 卷 66, 编号 3 (2017) |
Quantum chemical study of H2 adsorption on Pd21 cluster |
|
|
Shamsiev R., Danilov F.
|
| 卷 65, 编号 3 (2016) |
Quantum chemical study of regioselectivity of reactions of substituted pyrido[1,2-a]benzimidazoles with electrophiles |
|
|
Begunov R., Sokolov A., Belova V., Solov’ev M.
|
| 卷 65, 编号 12 (2016) |
Quantum chemical study of the influence of electronic factors on the thermodynamic characteristics of 1,3-dipolar cycloaddition of benzonitrile oxides and benzonitrile sulfides to weakly activated alkenes |
|
|
Chudov K., Chuvylkin N., Tsyganov D., Purygin P., Seeboth N., Salit A., Ivanov S., Krayushkin M.
|
| 卷 65, 编号 1 (2016) |
Quantum chemical study of the self-assembly of tetrathiacalix[4]arenes and their oxygen analogs functionalized by hydrazide groups |
|
|
Steglenko D., Ryzhkina I., Konovalov A., Starikov A., Minkin V.
|
| 851 - 875 的 1457 信息 |
<< < 30 31 32 33 34 35 36 37 38 39 > >> |
