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- W2007407272 abstract "The structures and energies for the dimerization of water and ammonia molecules were computed with density functional theory (DFT) and ab initio methods. For all studies the same 6-311+G(2d,2p) basis set was used. Two linear hydrogen-bonded and cyclic ammonia dimer structures were computed and their relative stability is discussed. From the systematic studies, hybrid DFT methods were selected as reliable for computing the parameters of these types of van der Waals' complex." @default.
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- W2007407272 date "1998-08-01" @default.
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- W2007407272 title "Computational study of water and ammonia dimers with density functional theory methods" @default.
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- W2007407272 doi "https://doi.org/10.1016/s0166-1280(98)00085-2" @default.
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