Browsing by Author "Nergin Günay"

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Theoretical investigation of 5-(2-Acetoxyethyl)-6-methylpyrimidin-2, 4-dione: Conformational study, NBO and NLO analysis, molecular structure and NMR spectra

Hacer Pir; Nergin Günay; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2013)

Structural and conformational, natural bond orbital (NBO) and nonlinear optical (NLO) analysis was performed, and H-1 and C-13 NMR chemical shifts values of 5-(2-Acetoxyethyl)-6-methylpyrimidin-2,4-dione [C9H12N2O4] in the ...