🔧На сайте запланированы технические работы
25.12.2025 в промежутке с 18:00 до 21:00 по Московскому времени (GMT+3) на сайте будут проводиться плановые технические работы. Возможны перебои с доступом к сайту. Приносим извинения за временные неудобства. Благодарим за понимание!
🔧Site maintenance is scheduled.
Scheduled maintenance will be performed on the site from 6:00 PM to 9:00 PM Moscow time (GMT+3) on December 25, 2025. Site access may be interrupted. We apologize for the inconvenience. Thank you for your understanding!

 

Search

Issue
Title
Authors
Vol 91, No 6 (2017)
Theoretical studies on magnetic properties of a binuclear paddle wheel Cu(II) complex {Cu2(μ2-O2CCH3)4}(OCNH2CH3)2
Cui S.X., Wang H.Y., Xu J., Zhang J.P.
PDF
(Eng)
Vol 90, No 12 (2016)
A comparative DFT study of oxygen reduction reaction on mononuclear and binuclear cobalt and iron phthalocyanines
Chen X., Li M., Yu Z., Ke Q.
PDF
(Eng)
Vol 90, No 2 (2016)
Kinetic energies to analyze the experimental auger electron spectra by density functional theory calculations
Endo K.
PDF
(Eng)
Vol 92, No 9 (2018)
Anionic Germanium–Niobium Clusters: Atomic Structure, Mechanisms of Cluster Formation, and Electronic Spectra
Borshch N.A., Kurganskii S.I.
PDF
(Eng)
Vol 91, No 13 (2017)
Experimental and Theoretical Vibrational Spectra of Sideridiol Isolated from Sideritis Species
Kilic T., Sagir Z.O., Carikci S., Azizoğlu A.
PDF
(Eng)
Vol 91, No 4 (2017)
Nuclear magnetic and nuclear quadrupole resonance parameters of β-carboline derivatives calculated using density functional theory
Ahmadinejad N., Tari M.T.
PDF
(Eng)
Vol 90, No 11 (2016)
Pyrrole adsorption on aluminum nitride nanotubes on DFT data
Noei M., Ebrahimikia M., Molaei N., Ahadi M., Salan A.A., Moradi O.
PDF
(Eng)
Vol 90, No 2 (2016)
Application of DFT and MP2 calculations on structural and water-assisted proton transfer in 3-amino-4-nitrofurazan
Beni A.S., Zarandi M.
PDF
(Eng)
Vol 92, No 9 (2018)
Addition Reactions of H2O to Germastannenes: A Computational Study
Yan Wang , Xiaolan Zeng
PDF
(Eng)
Vol 91, No 13 (2017)
Reconsideration on Hydration of Sodium Ion: From Micro-Hydration to Bulk Hydration
Yongquan Z., Chunhui F., Yan F., Fayan Z., Haiwen G., Hongyan L.
PDF
(Eng)
Vol 91, No 2 (2017)
Hydrogen bonds in ethylene glycol, monoethanolamine, and ethylenediamine complexes with water
Krest’yaninov M.A., Titova A.G., Zaichikov A.M.
PDF
(Eng)
Vol 90, No 11 (2016)
Quantum chemical studies on the reactivity of oxazole derivatives
Hosseinzadeh B., Eskandari K., Zarandi M., Asli R.
PDF
(Eng)
26 - 37 of 37 Items << < 1 2 

Search tips:

  • Search terms are case-insensitive
  • Common words are ignored
  • By default only articles containing all terms in the query are returned (i.e., AND is implied)
  • Combine multiple words with OR to find articles containing either term; e.g., education OR research
  • Use parentheses to create more complex queries; e.g., archive ((journal OR conference) NOT theses)
  • Search for an exact phrase by putting it in quotes; e.g., "open access publishing"
  • Exclude a word by prefixing it with - or NOT; e.g. online -politics or online NOT politics
  • Use * in a term as a wildcard to match any sequence of characters; e.g., soci* morality would match documents containing "sociological" or "societal"