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- W2168205931 abstract "A study of the dimer form of 1,3-dimethyluracil was carried out. The optimum geometric parameters in the monomeric and dimeric forms were obtained using the AM1 semiempirical method. The results were compared with those reported by X-ray diffraction. The energies in the dimer formation and in the intramolecular CH···O interaction were calculated. Electronic density maps in two and three dimensions were drawn. Several calculated thermodynamic parameters are discussed. © 1994 John Wiley & Sons, Inc." @default.
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- W2168205931 date "1994-07-15" @default.
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- W2168205931 title "Dimer form of 1,3-dimethyluracil studied by theAM1 semiempirical method" @default.
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- W2168205931 doi "https://doi.org/10.1002/qua.560510305" @default.
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