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• W2039565571 endingPage "781" @default.
• W2039565571 startingPage "776" @default.
• W2039565571 abstract "Semiempirical (MNDO, AM1, and PM3) and ab initio (HF/3-21+G(d,p), BVWN/3-21+G(d,p), MP2/3-21+G(d,p), HF/6-311+G(d,p), BVWN/6-311+G(d,p), and MP2/6-311+G(d,p)) energy minimization and frequency calculations have been carried out on three hydrogen chloride polymers, (HCl)n, n = 2−4 (the semiempirical methods were employed for n = 5 and 6 as well); on four polychlorohydrogenate(1−) anions, HnCln+1-, n = 1−4; and on two polychlorohydrogen(I) cations, Hn+1Cln+, n = 1 and 2. From the results, ΔG°, ΔH°, and ΔS° values have been calculated for a number of reactions involving these species. The thermodynamic data are presented for 21 reactions using calculations at the MP2/6-311+G(d,p) level, along with a comparison of ΔG° values obtained from all nine molecular orbital methods. 1H NMR shielding data have also been calculated for three species, HCl, HCl2-, and H2Cl+, using the gauge-independent atomic orbital (GIAO) and the continuous set of gauge transformations (CSGT) methods and density functional techniques with large basis sets." @default.
• W2039565571 created "2016-06-24" @default.
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• W2039565571 creator A5091275947 @default.
• W2039565571 date "1997-02-01" @default.
• W2039565571 modified "2023-09-29" @default.
• W2039565571 title "Thermodynamic Calculations for Reactions Involving Hydrogen Halide Polymers, Ions, and Lewis Acid Adducts. 2. Polychlorohydrogenate(1−) Anions (H<i>_n</i>Cl<i>_n</i>₊₁^-), Polychlorohydrogen(I) Cations (H<i>_n</i>₊₁Cl<i>_n</i>⁺), and Hydrogen Chloride Polymers (HCl)<i>_n</i>" @default.
• W2039565571 cites W1486986652 @default.
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• W2039565571 cites W1828465171 @default.
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• W2039565571 cites W1967474016 @default.
• W2039565571 cites W1968975402 @default.
• W2039565571 cites W1970013673 @default.
• W2039565571 cites W1970796819 @default.
• W2039565571 cites W1970994745 @default.
• W2039565571 cites W1973427111 @default.
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• W2039565571 cites W1996096799 @default.
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• W2039565571 cites W2013975779 @default.
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• W2039565571 cites W2055609180 @default.
• W2039565571 cites W2057681844 @default.
• W2039565571 cites W2058584696 @default.
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• W2039565571 doi "https://doi.org/10.1021/ic9607999" @default.
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