Ab initio molecular orbital study of dim
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Anthony Popowicz; Takanobu Ishida
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Article
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1981
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Elsevier Science
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English
β 413 KB
Various dlmer configurations of iluoroform have been mdied by means of the GAUSSIAN-70 &on&n usmg the rnmlmal STO-3G basis set The largest dunenzation energy, 0 68 kul/mol. occurs in an end-to-end bnear geometry wth a H...F distance. of 2 3 A and the electron donor molecule tilted at 45O with respec