| 1 |
Molecular wires formed from native and push-pull derivatives polypyrroles and beta-cyclodextrins: A HOMO-LUMO gap theoretical investigation
Santos ES, Reis VS, Guimaraes L, Nascimento CS
Chemical Physics Letters, 730, 141, 2019 |
| 2 |
Theoretical study on the formation process of Cross-Linked beta-Cyclodextrin molecular tubes
Reis VS, Santos ES, Bonsolhos DNF, Guimaraes L, De Almeida WB, Nascimento CS
Chemical Physics Letters, 677, 13, 2017 |
| 3 |
Superposition-additive approach in the description of thermodynamic parameters of formation and clusterization of substituted alkanes at the air/water interface
Vysotsky YB, Belyaeva EA, Fomina ES, Vasylyev AO, Vollhardt D, Fainerman VB, Aksenenko EV, Miller R
Journal of Colloid and Interface Science, 387, 162, 2012 |
| 4 |
Quantum chemical studies on corrosion inhibition for series of thio compounds on mild steel in hydrochloric acid
Musa AY, Mohamad AB, Kadhum AAH, Takriff MS, Ahmoda W
Journal of Industrial and Engineering Chemistry, 18(1), 551, 2012 |
| 5 |
Reactivity of substituted 4-oxothiazolidine derivatives in electron transfer reactions: A spectroelectrochemical study and mechanistic aspects
Cekic-Laskovic I, Markovic R, Minic DM, Volanschi E
Electrochimica Acta, 56(14), 5257, 2011 |
| 6 |
Electrochemical and theoretical studies of thienyl-substituted amino triazoles on corrosion inhibition of copper in 0.5 M H2SO4
Tang YM, Chen Y, Yang WZ, Liu Y, Yin XS, Wang JT
Journal of Applied Electrochemistry, 38(11), 1553, 2008 |
| 7 |
Quantum chemical treatment of nivalenol and its tautomers
Turker L, Gumus S
Journal of Hazardous Materials, 153(1-2), 329, 2008 |
| 8 |
Theoretical study of reaction paths and transition states on conversion methane into C-2 hydrocarbons through plasma
Wang BW, Yang EC, Xu GH, Hao JK
Chinese Journal of Chemical Engineering, 15(1), 44, 2007 |
| 9 |
Comparative QSTR study using semi-empirical and first principle methods based descriptors for acute toxicity of diverse organic compounds to the fathead minnow
Eroglu E, Palaz S, Oltulu O, Turkmen H, Ozaydin C
International Journal of Molecular Sciences, 8(12), 1265, 2007 |
| 10 |
Experimental and theoretical study for corrosion inhibition of mild steel in hydrochloric acid solution by some new hydrazine carbodithioic acid derivatives
Khaled KF
Applied Surface Science, 252(12), 4120, 2006 |
