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- W2061063675 abstract "I The 35 Cl nuclear quadrupole resonances (77 K) and ab initio calculations of trichloromethyldichlorophosphine () show that it exists in the chess conformation form. The barrier to internal rotation about the P-C bond in I at the RHF/6-31 ++ G(d,p) level equals to 38.1 kJ mol -1 . In chloromethyldichlorophosphine ( II ) the extension of the basis set up to the RHF/6-311 ++ G(df, pd) level does not improve the description of the most preferable gauche-conformation; only if electron correlation (at the MP2 level) is taken into account the results are in a good agreement with experimental data." @default.
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- W2061063675 date "2002-07-01" @default.
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- W2061063675 title "Conformational Structure of Chloromethyldichlorophosphines" @default.
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- W2061063675 doi "https://doi.org/10.1515/zna-2002-6-708" @default.
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