Order results by:
| Issue | Title | |
| Vol 7, No 6 (2012) | Spectral and quantum-chemical research of antipyrine derivatives of some rare earth elements complex compounds | Abstract similar documents |
| N. S. Rukk, R. S. Shamsiev, V. V. Kravchenko, A. Yu. Skryabina, V. V. Zamalyutin | ||
| "... calculations for [Ln(AP)6]I3, [Ln(AP)6](ClO4)3 (Ln = Sc, Y, La–Nd, Sm–Lu; AP – antipyrine, C11H12N2O ..." | ||
| Vol 16, No 2 (2021) | Structural characterization of hydrogen bonding for antipyrine derivatives: Single-crystal X-ray diffraction and theoretical studies | Abstract PDF (Eng) PDF (Eng) similar documents |
| N. S. Rukk, R. S. Shamsiev, D. V. Albov, S. N. Mudretsova | ||
| "... obtained for compounds I and II are compared with data for antipyrine (1,2-dihydro-1,5-dimethyl-2-phenyl-3H ..." | ||
| Vol 9, No 6 (2014) | Effect of Al2O3 support on the activation parameters of the C–C bond catalytic cleavage in propanoic acid | Abstract similar documents |
| R. S. Shamsiev, I. E. Sokolov, V. R. Flid | ||
| "... molecule was studied with DFT-PBE approach using the model of Pd9 cluster supported on (Al2O3)4 and (Al2O3 ..." | ||
| Vol 8, No 5 (2013) | THEORETICAL STUDY OF THE ADSORPTION OF PROPIONIC ACID OVER Cu1515 CLUSTERS | Abstract similar documents |
| F. O. Danilov, A. Yu. Skryabina, V. V. Zamalutin, R. S. Shamsiev | ||
| "... В рамках метода функционала плотности PBE выполнено моделирование адсорбции молекулы пропионовой ..." | ||
| Vol 8, No 5 (2013) | QUANTUM CHEMICAL MODELLING OF SYN-ANTI ISOMERIZATION IN SUBSTITUTED ALLYL-NICKEL COMPLEXES | Abstract similar documents |
| F. O. Danilov, R. S. Shamsiev | ||
| "... ) has been studied using the density functional theory (DFT-PBE). Calculations indicated that in all ..." | ||
| Vol 6, No 6 (2011) | Investigation of the geometry and electronic structure of endohedral complexes Pdn@C60, n=1,…,4, by quantum chemistry methods | Abstract similar documents |
| G. E. Gal’pern, I. V. Stankevich, M. I. Skvortsova | ||
| "... investigated by a quantum chemistry method (DFT/PBE). The heat of formation ΔНf of a complex consisting of C60 ..." | ||
| Vol 18, No 3 (2023) | Determination of chlorine-containing compounds in disinfectants using ion-exchange chromatography | Abstract PDF (Eng) similar documents |
| E. A. Lapina, S. A. Zverev, S. V. Andreev, K. A. Sakharov | ||
| "... , chlorate, and perchlorate ions in solution; to determine the limits of detection and quantitation for ClO ..." | ||
| Vol 3, No 6 (2008) | Program for statistical processing of experimental data | Abstract similar documents |
| R. A. Osipov, A. Yu. Skryabina, N. S. Rukk | ||
| "... = La, Ce- Nd, Sm-Lu, Sc, Y; АП – антипирин). Для конкретности, далее речь пойдет об обработке именно ..." | ||
| Vol 12, No 1 (2017) | ABOUT THERMAL STABILITY OF BISMUTH(III) IODINE ETIOPORPHYRIN II COMPLEX | Abstract similar documents |
| D. V. Golubev, V. D. Rumyantseva, V. V. Fomichev | ||
| "... выполнены в программе Priroda15 методом DFT с использованием функционала PBE в базисе L1 в полноэлектронном ..." | ||
| Vol 13, No 6 (2018) | COMPETITION OF OXYGEN- AND NITROGEN-DONOR LIGANDS IN THE SYNTHESIS OF COMPLEX COMPOUNDS OF COPPER WITH 2-(PHENYL-4-CHLOROPHENYLACETYL)INDANDIONE-1,3 | Abstract similar documents |
| L. A. Nosikova, A. N. Kochetov, Z. A. Kudryashova, A. Yu. Tsivadze | ||
| "... The interaction of CuCl and 2-(phenyl-4-chlorophenylacetyl)indandione-1,3 (HL, C23H15ClO3 ..." | ||
| Vol 8, No 5 (2013) | ESTIMATION OF PROTONATION ABILITY OF SOME ORGANIC BASES BY THEIR STRUCTURAL FORMULAE | Abstract similar documents |
| R. A. Osipov, N. S. Rukk, M. I. Skvortsova, V. V. Zamalyutin, A. Yu. Skryabina | ||
| "... -фенилацетамид (антифебрин) 1.4 4 C11H12N2O 1-фенил-2,3-диметилпиразолон-5 (антипирин) 2.2 5 C20H25NО3 2 ..." | ||
| Vol 14, No 6 (2019) | Quantum chemical investigation of the oxidative addition reaction of allyl carboxylates to Ni(0) and Pd(0) complexes | Abstract PDF (Eng) similar documents |
| K. Т. Egiazaryan, R. S. Shamsiev, V. R. Flid | ||
| "... -Sham method for the density Junctional theory using the PBE exchange-correlation Junctional and all ..." | ||
| Vol 14, No 3 (2019) | Chemical Thermodynamics and Calculation of Parameters of Ionic Equilibria of Indium(III) in Perchlorate, Chloride and Sulphate Aqueous Solutions | Abstract similar documents |
| S. A. Ukhov | ||
| "... одного знака зарядов типа In3+ – Na+(H+) и Cl–(OH–) – ClO4–) и принципи-альные эмпирическим правилам ..." | ||
| Vol 11, No 2 (2016) | CATIONIC PD(II) COMPLEXES CATALYTICALLY ACTIVE IN THE OXIDATION OF OLEFINS : MECHANISMS OF THE FORMATION IN WATER -ACETONITRILE -CHLORIC ACID MEDIUM | Abstract PDF (Eng) similar documents |
| D. S. Zakharova, I. V. Martynov, V. M. Nosova, O. N. Temkin | ||
| "... ] that acidic ligands HSO4 -, NO3 - , ClO4 -, OAc- do not affect the process rate in aqueous acetonitrile ..." | ||
| Vol 5, No 6 (2010) | On the phosphate derivative of the Tchugaev salt | Abstract similar documents |
| A. B. Venediktov, S. V. Korenev, Yu. V. Shubin, S. A. Gromilov, P. E. Plyusnin, S. V. Tkachev, D. V. Vasilchenko | ||
| "... % (найдено: 44.3±0.2% Pt; для PtN5H17ClO вычислено 44.33% Pt). В ЭСП водного раствора соли имеется ..." | ||
| Vol 8, No 1 (2013) | Development of a block-modular method for the preparation of monomethinecyanines | Abstract similar documents |
| E. A. Gorkina, A. Yu. Nikolayev, A. Yu. Gervald, S. K. Sazonov, E. Yu. Bulychev | ||
| "... NO2 S ClO2N Na2S Na2S2 1 2 Рис. 2. Общая схема синтеза монометинового красителя [4]. Эта ..." | ||
| Vol 6, No 4 (2011) | Study of separate stages of In3+ extraction using quantum chemical modeling method: an initiation stage | Abstract similar documents |
| P. P. Kochetkov, V. V. Yegorova, Yu. M. Glubokov, A. V. Krylov | ||
| "... программы PRIRODA 6 [4], функционал PBE [5], включающий градиент электронной плотности и расширенные ..." | ||
| Vol 10, No 1 (2015) | Biuret complexes of lanthanum bromide and gadolinium iodide | Abstract similar documents |
| L. Yu. Alikberova, T. A. Antonenko, D. V. Albov | ||
| "... [Sm(BU) 4 ](ClO 4 ) 3 [6] обнаружены комплексные катионы [Sm(BU) 4 ]3+ (КЧ 8, координационный по ..." | ||
| Vol 1, No 3 (2006) | Key intermediates of catalytic reactions with norbornadiene participation | Abstract similar documents |
| E. M. Evstigneeva, R. S. Shamsiev, V. R. Flid | ||
| "... выполнено теоретическое исследование в градиентном приближении метода DFT (PBE) с применением базисов TZ ..." | ||
| Vol 12, No 2 (2017) | THERMAL DECOMPOSITION OF UROTROPINE COMPLEXES WITH NICKEL AND COBALT CHLORIDES | Abstract similar documents |
| D. V. Golubev, E. V. Savinkina, A. .. Al-Khazraji, M. N. Davydova | ||
| "... = ClO 4 - [20]. В комплексах редкоземельных элементов уротропин также находится во внешней сфере [21 ..." | ||
| Vol 8, No 2 (2013) | Simulation of vapor-liquid equilibrium in system: a,g-dichlorohydrin–Α-monochlorohydrin–glycerol–hydrogen chloride–water | Abstract similar documents |
| S. M. Zanaveskina, Yu. A. Pisarenko, G. S. Dmitriev, L. N. Zanaveskin | ||
| "... формула αγ-C3H6OCl2 α-C3H7ClO2 С3H8O3 HCl H2O Молекулярная масса, [г/моль] 128.98 110.54 92.094 36 ..." | ||
| Vol 13, No 4 (2018) | AMPEROMETRIC DETERMINATION OF PERRHENATE ANION USING A MICROSCOPIC INTERFACES BETWEEN TWO IMMISCIBLE ELECTROLYTE SOLUTIONS | Abstract PDF (Eng) similar documents |
| L. Yu. Martynov, E. V. Lopatukhin, A. A. Astafyev, A. M. Shakhov, V. A. Nadtochenko, N. K. Zaitsev | ||
| "... . Values of 16.9 and 20.1 kJ mol–1 have been reported previously for the perchlorate ion (ClO 4 ..." | ||
| Vol 11, No 5 (2016) | THE USE OF COPPER INDICATOR ELECTRODES IN VOLTAMMETRIC ANALYSIS | Abstract PDF (Eng) similar documents |
| L. Yu. Martynov, O. A. Naumova, N. K. Zaytsev, I. Yu. Lovchinovsky | ||
| "... of electrolyte concentrations. On the contrary, in electrolytes with NO3 –, SO4 2– and ClO4 – copper ..." | ||
| Vol 13, No 2 (2018) | COMPOUNDS OF BISMUTH AND ITS PORPHYRINE COMPLEXES: APPLICATION, STRUCTURE AND PROPERTIES | Abstract similar documents |
| A. S. Gorshkova, V. D. Rumyantseva, A. F. Mironov | ||
| "... DFT с использованием функционала PBE в базисе L1 в полноэлектронном скалярно-релятивистском при ..." | ||
| Vol 12, No 2 (2017) | STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE | Abstract PDF (Eng) similar documents |
| A. A. Ischenko, Y. I. Tarasov, L. Schäfer | ||
| 1 - 25 of 25 Items | ||
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