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On the chemical bonding features in palladium containing compounds: A combined QTAIM/DFT topological analysis
Zeidabadinejad L., Dehestani M., Pourestarabadi S.
Quantum Chemical Modeling of Electrochemical Consecutive Reduction of Fe(III) Aqua- and Aqua-Hydroxocomplexes
Nazmutdinov R., Zinkicheva T., Kolpakov M., Dresvyannikov A.
Tautomerism of the antiepileptic drug Felbamate: A DFT study
Khaleghi-Rad A., Beyramabadi S., Morsali A., Ebrahimi M., Khorzandi-Chenarboo M.
Chemical Vapor Deposition Synthesis of Large-Area Graphene Films
Nikolaev D., Popov V., Timofeev V., Smagulova S.
A DFT study on the geometry, spectroscopic properties, and tautomerization of the local anaesthetic drug prilocaine
Heshmatipour F., Beyramabadi S., Morsali A., Heravi M.
First-Principles Study of the Structures and Electronic Properties of Nin–1Al (n = 2-20) Clusters
Song W., Wang B., Li H., Wang J., He C.
Structural characterization, photophysical and BSA binding interaction studies of 4,4′-bis(benzimidazolyl)-2,2′-bipyridine
Swarnalatha K., Rathnamala P., Babu A., Bhuvanesh N.
Tautomerism in the Sulfonamide Moiety: Synthesis, Experimental and Theoretical Characterizations
Ettehadi Z., Davoodnia A., Khashi M., Ali Beyramabadi S.
Experimental and Computational Investigations of 4-((E)-(2-Amino-5- Nitrophenylimino)Methyl)-5- (Hydroxymethyl)-2-Methylpyridin-3-Ol Schiff Base Derived from Vitamin B6
Beyramabadi S., Khashi M., Morsali A., Gharib A., Chegini H.
Molecular kinetic aspects of vaporization of volatile coordination compounds with organic ligands
Lukashov V., Makarov M., Makarova S., Igumenov I.
Effect of protonation on the structure of 1,3,6,8-tetraazatricyclo[4.4.1.13,8] dodecane (TATD) adamanzane: Crystal structure and DFT analysis of 3,6,8-triaza-1-azoniatricyclo[4.4.1.13,8]dodecane 4-nitrophenolate 4-nitrophenol
Uribe J., Ríos-Motta J., Bolte M., Rivera A.
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