Models | Medium | Diphenol | Water | |||||
O | H | O | H | O | H | H | ||
Diphenol | Gas | −0.3054 | 0.2671 | −0.3054 | 0.2671 | - | - | - |
Aqueous | −0.3559 | 0.3044 | −0.3559 | 0.3044 | - | - | - | |
Water | Gas | - | - | - | - | −0.5076 | 0.2538 | 0.2538 |
Aqueous | - | - | - | - | −0.5794 | 0.2897 | 0.2897 | |
1 | Gas | −0.4866 | 0.4945 | −0.3114 | 0.2667 | −0.6024 | 0.2963 | 0.2931 |
Aqueous | −0.5272 | 0.5020 | −0.3608 | 0.3056 | −0.6330 | 0.3209 | 0.3177 | |
2 | Gas | −0.3668 | 0.2823 | −0.3078 | 0.2714 | −0.5414 | 0.3029 | 0.2585 |
Aqueous | −0.3912 | 0.3168 | −0.3583 | 0.3081 | −0.6010 | 0.3234 | 0.2940 | |
3 | Gas | −0.3094 | 0.2913 | −0.2959 | 0.2679 | −0.5289 | 0.2507 | 0.3161 |
Aqueous | −0.3427 | 0.3249 | −0.3479 | 0.3043 | −0.5917 | 0.2834 | 0.3298 | |
4 | Gas | −0.2819 | 0.2669 | −0.2806 | 0.2672 | −0.4818 | 0.2453 | 0.2821 |
Aqueous | −0.3331 | 0.3019 | −0.3318 | 0.3021 | −0.5436 | 0.2804 | 0.2894 |