Yayıncı "Editura Academiei Romane" için listeleme
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The merrifield-simmons indices of 2-methyl alkanes and 1-methyl bicyclo [X.1.0] alkanes
(Editura Academiei Romane, 2017)In this paper the Merrifield-Simmons indices of the 2-methyl alkanes and the 1-methyl bicyclo [X.1.0] alkanes are obtained. After that, the Merrifield-Simmons index of the binary compositions of these molecules which are ... -
Structural investigation, drug likeness scoring and structure activity/property relationships applied on 1,2,3-thiadiazole derivatives, with kinase inhibitors activity
(Editura Academiei Romane, 2017)All calculations and the equilibrium geometries of 1,2,3-thiadiazole have been performed using ab initio/HF, MP2 and DFT methods with different basis sets. The molecular electrostatic potential surface (MESP) that reveals ...