Browsing by Author "Tanis, Emine"
Now showing items 1-9 of 9
-
The functional states of angular quantum numbers and Ne + H-2(+) (nu=0, j=2) -> NeH+ + H reaction mechanism
Tanis, Emine; Yilmaz, Engin; Karabulut, Ezman (CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2018)The behaviors of Legendre polynomials representing angular movements are independent of the type of reaction and can be studied in detail paying attention to the changes on effective and centrifugal potentials. For the ... -
Investigation of Structural, Vibrational Properties and Electronic Structure of Fluorene-9-Bisphenol: A DFT Approach
Kotiloglu, Selin Ozkan; Celik, Sibel; Tanis, Emine; Kurban, Mustafa (WILEY-V C H VERLAG GMBH, 2018)Bisphenol A (BPA) is a chemical used in a variety of materials and has adverse effects on endocrine system. The substitutes of BPA have been developed to produce BPA-free plastics. Fluorene-9-bisphenol (BPFL), has ... -
A new synthesis of limonene copolymer: experimental and theoretical analysis
Cankaya, Nevin; Tanis, Emine; Gulbas, H. Elmali; Bulut, Niyazi (SPRINGER, 2019)A copolymer of limonene with 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate (LIM-co-MPAEMA) which is thought to be a non-toxic and used generally as a dietary supplement was synthesized and characterized for the first ... -
Reactive scattering of an electronically-excited nitrogen atom with H-2 and its isotopic variants: N(D-2) + H-2/D-2/T-2
Tanis, Emine (ELSEVIER SCIENCE BV, 2016)Total reaction probabilities, integral cross sections and total rate constants of the N(D-2) + H-2 reaction and its isotopic variants were calculated using a time-dependent quantum wave packet method with a centrifugal ... -
Required theoretical and experimental physical characteristics of tris[4-(diethylamino)phenyl] amine organic material
Tanis, Emine; Sas, Emine Babur; Gunduz, Bayram; Kurt, Mustafa (SPRINGER, 2018)In here, we investigated the required theoretical and experimental physical characteristics such as potential energy surface scan, optimized structure, vibrational spectra, electronic band structure, molecular electrostatic ... -
The structural, electronic and spectroscopic properties of 4FPBAPE molecule: Experimental and theoretical study
Tanis, Emine; Sas, Emine Babur; Kurban, Mustafa; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2018)The experimental and theoretical study of 4-Formyl Phenyl Boronic Acid Pinacol Ester (4FPBAPE) molecule were performed in this work. H-1, C-13 NMR and UV-Vis spectra were tested in dimethyl sulfoxide (DMSO). The structural, ... -
Synthesis, characterization and in-silico estimation of the toxic potential of N-(4-nitrophenyl)methacrylamide
Cankaya, Nevin; Tanis, Emine (IOP PUBLISHING LTD, 2019)In this study, the structure of the originally synthesized N-(4-nitrophenyl)methacrylamide (4NPMA) monomer has been proven both experimentally and theoretically. The synthesized monomer was chemically characterized by IR, ... -
Synthesis, Characterization, Computation of Global Reactivity Descriptors and Antiproliferative Activity of N-(4-nitrophenyl)Acrylamide
Tanis, Emine; Cankaya, Nevin; Yalcin, Serap (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2019)In this article N-(4-nitrophenyl)acrylamide has been synthesized and characterized both experimentally and theoretically. The synthesized monomer was characterized experimentally by Fourier Transform Infrared, Nuclear ... -
Synthesis, experimental and theoretical analysis, and antiproliferative activity of 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate
Tanis, Emine; Cankaya, Nevin; Yalcin, Serap (ELSEVIER SCIENCE BV, 2019)In this study 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate (MPAEMA) has been synthesized and characterized experimentally (FTIR, NMR). Theoretically, physical, electronic and vibrational properties of MPAEMA molecule ...
