Поиск

Поиск по всем категориям
Дополнительные фильтры
Ключевые слова	Удалить

Искать в категориях
Авторы
Название
Резюме
Полный текст
Искать в PDF
Дополнительные файлы
Дата публикации
с
по
Термины
Дисциплины
Подход
Где-когда
Все поля проиндексированных терминов

Выпуск

Название

Авторы

Том 60, № 1 (2019)

Study of the Physicochemical Properties of Anti-Cancer Drug Gemcitabine on the Surface of Al Doped C₆₀ and C₇₀ Fullerenes: A DFT Computation

Ghasemi A., Ashrafi F., Babanejad S., Elyasi A.

(Eng)

Том 58, № 2 (2017)

Analysis of aliphatic α,ω-diols: Crystal structures, application and progress of A. I. Kitaigorodsky ideas

Grineva O.

(Eng)

Том 60, № 6 (2019)

Theoretical Study of the Interaction of Ethanol with the (3,5-Dimethylpyrazole-N₂)(N-Salicylidenephenyl-Alaninato-O,N,O′)Copper(II) Complex

Massoud R., Makhyoun M.

(Eng)

Том 60, № 1 (2019)

Conformational Space Analysis of Protected N-Formyl-L-Phenylalanine-N-Amide Amino Acid: Effects of the Intramolecular Basis Set Superposition Error

El Guerdaoui A., Tijar R., Bourjila M., El Merbouh B., El Bouzaidi R., El Gridani A.

(Eng)

Том 59, № 1 (2018)

Symbasis Between Formation Entalpies, Activation Energies of the Electrical Conductivity in Wüstite and in the Clusters of Its Crystal Lattice

Ermakov A., Horishko B.

(Eng)

Том 58, № 6 (2017)

XPS and XANES study of layered mineral valleriite

Mikhlin Y., Romanchenko A., Tomashevich E., Volochaev M., Laptev Y.

(Eng)

Том 57, № 8 (2016)

Structural characterization, photophysical and BSA binding interaction studies of 4,4′-bis(benzimidazolyl)-2,2′-bipyridine

Swarnalatha K., Rathnamala P., Babu A., Bhuvanesh N.

(Eng)

Том 60, № 4 (2019)

Theoretical Study on the Inclusion Interaction of β-Cyclodextrin with Gabapentin and Its Stability

Yang L., Li D., Guo B., Wei D.

(Eng)

Том 59, № 8 (2018)

Comparison of Standard Functionals to Calculate the Properties of Molecules at the Variational Limit

Turovtsev V., Orlov Y., Kaplunov I.

(Eng)

Том 58, № 3 (2017)

Induction of radiative forbidden transitions in an oxygen molecule in O₂–H₂O collision complexes

Shchepin A., Peshkova T., Peshkov S.

(Eng)

Том 57, № 8 (2016)

Density functional theory studies of conformational stabilities and rotational barriers of 2- and 3-thiophenecarboxaldehydes

Umar Y., Tijani J., Abdalla S.

(Eng)

Том 60, № 3 (2019)

Frequency Dispersion of the Specific Conductance Coefficient in Aqueous Electrolyte Solutions

Odinaev S., Akdodov D., Idibegzoda K.

(Eng)

Том 59, № 5 (2018)

Structural and Temperature Dependent Electrical Conductivity Properties of Dy₂O₃–Sm₂O₃ CO-Doped Bi₂O₃

Kış M., Arı M., Polat Y., Erdoğan B., Karaaslan T.

(Eng)

Том 59, № 8 (2018)

Theoretical Study of the Arene Ligand Effect on the Structure and Properties of Cr(CO)₃(Arene) Complexes (Arene = Benzene, Biphenyl, Triphenly, Tetraphenyl)

Ardestani E., Ghiasi R., Tabatabai J.

(Eng)

Том 57, № 5 (2016)

Theoretical investigation of the spectroscopic constants of aluminum carbide in the ground state

Liu X., Li L., Qian Z., Wang X.

(Eng)

Том 60, № 12 (2019)

DFT Investigation of a Charge-Transfer Complex Formation Between p-Phenylenediamine and 3,5-Dinitrosalicylic Acid

Madi F., Laafifi I., Cheriet M., Issaoui N., Nouar L., Merdes R., Athmani A.

(Eng)

Том 60, № 3 (2019)

Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle

Beregovaya I., Shchegoleva L., Borovkov V., Karpov V.

(Eng)

Том 59, № 5 (2018)

Theoretical Study of the Solvent Effect on the Electronic and Vibrational Properties of [CpFe(CO)₂(NCS)] and [CpFe(CO)₂(SCN)] Linkage Isomers

Fereidoni S., Ghiasi R., Pasdar H.

(Eng)

Том 59, № 8 (2018)

A Quantum Chemical Simulation of the Interaction Between Leucine and the Dimer of Sodium Dodecyl Sulphate

Giricheva N., Kurbatova M., Tyunina E., Barannikov V.

(Eng)

Том 58, № 2 (2017)

Computer simulation of amino acid sorption on carbon nanotubes

Nechaeva L., Butyrskaya E., Zapryagaev S.

(Eng)

Том 57, № 2 (2016)

First principles calculation of the stacking fault in (111) low-temperature metastable alumina

Papulovskiy E., Shubin A., Lapina O.

(Eng)

Том 60, № 12 (2019)

Coordination Numbers and Critical Topology of Centrosymmetric Hydrocarbons

Banaru A., Gridin D.

(Eng)

Том 60, № 3 (2019)

Solving the Problem of Electron-Vibrational-Rotational Energy Levels of a Polyatomic Molecule of Arbitrary Structure in Generalized Coordinates

Gribov L.

(Eng)

Том 59, № 5 (2018)

Exploration of Solvent Effects on the Spectroscopic Properties (Ir and ¹³C NMR) in the OsCl₃(≡CCH₂CMe₃)(PH₃)₂ Carbyne Complex

Ghiasi R.

(Eng)

Том 59, № 6 (2018)

Oxidation of FO and N₂ Molecules on the Surfaces of Metal-Adopted Boron Nitride Nanostructures as Efficient Catalysts

Pourabadeh A., Nasrollahzadeh B., Razavi R., Bozorgian A., Najafi M.

(Eng)

Том 58, № 1 (2017)

Structural, electrostatic, and thermodynamic properties of the surface of spherical micelles in solutions of sodium n-alkyl sulfate homologues. II. Electrostatic and thermodynamic characteristics

Kuznetsov V., Usol’tseva N., Blinov A., Zharnikova N., Smirnova A., Badelin V.

(Eng)

Том 57, № 2 (2016)

Electronic structure and formation energies of nonstoichiometric dichalcogenides M_xX_2–y (М = Nb, Mo, W; X = Se, Te)

Shein I., Bannikov V., Enyashin A.

(Eng)

Том 60, № 11 (2019)

Understanding Hydrogen Bonding in Terms of the Theory of Generalized Charges

Dolgonosov A.

(Eng)

Том 60, № 2 (2019)

Conformational Stabilities, Rotational Barriers, and Vibrational Spectra of 2-Pyrrolecarboxaldehyde and 3-Pyrrolecarboxaldehyde Calculated Using Density Functional Theory

Umar Y., Tijani J., Abdalla S.

(Eng)

Том 59, № 5 (2018)

Analysis of the Interaction Between the C₂₀ Cage and cis-Ptcl₂(NH₃)₂: A DFT Investigation of the Solvent Effect, Structures, Properties, and Topologies

Kazemi Z., Ghiasi R., Jamehbozorgi S.

(Eng)

Том 58, № 8 (2017)

QUANTUM chemical estimation of the binding strength of As, Cd, Pb, Sb, Se, Te atoms by the ZrC(100) surface

Malykhin S., Burylin M.

(Eng)

Том 58, № 1 (2017)

Electronic structure with a dipole moment calculation of the low-lying electronic states of the KHe molecule

Kontar S., Korek M.

(Eng)

Том 57, № 1 (2016)

Local structure of ionic liquid–monohydric alcohol solutions

Atamas N.

(Eng)

Том 60, № 10 (2019)

Pseudorotation of the Benzene Radical Cation Associated with HCN or CH₃CN Molecules

Beregovaya I., Andreev R., Shchegoleva L.

(Eng)

Том 60, № 2 (2019)

DFT-Based Molecular Conformational Analysis of a Diarylethylene Cyano-Derivative

Abulyaissova L.

(Eng)

Том 59, № 2 (2018)

Variational Approach to the General Problem Of Vibrational-Rotational States of Molecules

Gribov L.

(Eng)

Том 58, № 7 (2017)

Theoretical study of interactions between 1-alkyl-3-methyimidazolium tetrafluoroborate and dibenzothiophene: DFT, NBO, and AIM analysis

Niknam M., Vatanparast M., Shekaari H.

(Eng)

Том 57, № 6 (2016)

Ab initio prediction of plausible conformers of a flexible N-(3-chloro-4-fluorophenyl)thiourea (CFT) molecule: A validation study

Stephen A., Nidhin P., Srinivasan P.

(Eng)

Том 60, № 8 (2019)

Quantum Chemical Modeling of Electrochemical Consecutive Reduction of Fe(III) Aqua- and Aqua-Hydroxocomplexes

Nazmutdinov R., Zinkicheva T., Kolpakov M., Dresvyannikov A.

(Eng)

Том 60, № 1 (2019)

Molecular Cycles (H₂O)_n on the Substrates with Hexagonal Crystal Structure

Shevkunov S.

(Eng)

Том 59, № 1 (2018)

Variation of the Intersection Point of the Potential Surface Crossing Induced by the Laser Phase Along the Reaction Path in Ion-Molecule Reactions: Application To Li⁺ + CH₄

Tag El-Din Kamal M., Sedik E., Talaat H.

(Eng)

Том 58, № 6 (2017)

Experimental and theoretical study of the electronic energy structure of phosphorus containing sulfides InPS₄, Tl₃PS₄ and Sn₂P₂S₆

Lavrentiev A., Gabrel′yan B., Vu V., Nikiforov I., Nikiforova V., Khizhun O.

(Eng)

Том 57, № 7 (2016)

Analysis of the local atomic structure of quantum dots of the CdS family

Kravtsova A., Pankin I., Soldatov M., Butova V., Bobrova I., Soldatov A.

(Eng)

1 - 43 из 43 результатов

Подсказки:

Ключевые слова чувствительны к регистру
Английские предлоги и союзы игнорируются
По умолчанию поиск проводится по всем ключевым словам (агенс AND экспериенцер)
Используйте OR для поиска того или иного термина, напр. образование OR обучение
Используйте скобки для создания сложных фраз, напр. архив ((журналов OR конференций) NOT диссертаций)
Для поиска точной фразы используйте кавычки, напр. "научные исследования"
Исключайте слово при помощи знака - (дефис) или оператора NOT; напр. конкурс -красоты или же конкурс NOT красоты
Используйте * в качестве версификатора, напр. научн* охватит слова "научный", "научные" и т.д.

Имя пользователя
Пароль
Запомнить меня

Забыли пароль?	Регистрация

Имя пользователя
Пароль
Запомнить меня

Забыли пароль?	Регистрация

Поиск

Дополнительные фильтры

Искать в категориях

Дата публикации

Термины