{"id":108259,"date":"2024-03-04T07:52:13","date_gmt":"2024-03-04T07:52:13","guid":{"rendered":"https:\/\/science-hub.click\/%E6%B0%B4%E3%83%A2%E3%83%87%E3%83%AB%E3%81%AB%E3%81%A4%E3%81%84%E3%81%A6%E8%A9%B3%E3%81%97%E3%81%8F%E8%A7%A3%E8%AA%AC\/"},"modified":"2024-03-04T07:52:13","modified_gmt":"2024-03-04T07:52:13","slug":"%E6%B0%B4%E3%83%A2%E3%83%87%E3%83%AB%E3%81%AB%E3%81%A4%E3%81%84%E3%81%A6%E8%A9%B3%E3%81%97%E3%81%8F%E8%A7%A3%E8%AA%AC","status":"publish","type":"post","link":"https:\/\/science-hub.click\/?p=108259","title":{"rendered":"\u6c34\u30e2\u30c7\u30eb\u306b\u3064\u3044\u3066\u8a73\u3057\u304f\u89e3\u8aac"},"content":{"rendered":"

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$$ {E_{ab} = \\sum_{i} ^{on\\ a} \\sum_{j} ^{on\\ b} \\frac {q_iq_j e^2}{r_{ij}} + \\frac {A}{r_{OO}^{12}} – \\frac {B}{r_{OO}^6} } $$<\/div><\/dd><\/dl>

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<\/th> BF<\/th> TIPS2<\/th>\u30d2\u30f3\u30c84P<\/th> TIP4P-Ew<\/th> TIP4P\/\u30a2\u30a4\u30b9<\/th>TIP4P\/2005<\/th><\/tr>
r(OH)\u3001\u00c5<\/th> 0.96<\/td> 0.9572<\/td> 0.9572<\/td> 0.9572<\/td> 0.9572<\/td> 0.9572<\/td><\/tr>
\u307b\u30fc\u3001\u5ea6<\/th>105.7<\/td> 104.52<\/td> 104.52<\/td> 104.52<\/td> 104.52<\/td> 104.52<\/td><\/tr>
r(OM)\u3001\u00c5<\/th> 0.15<\/td> 0.15<\/td> 0.15<\/td> 0.125<\/td> 0.1577<\/td> 0.1546<\/td><\/tr>
A \u00d7 10 -3<\/sup> \u3001kcal \u00c5 12<\/sup> \/mol<\/th> 560.4<\/td> 695.0<\/td> 600.0<\/td> 656.1<\/td> 857.9<\/td> 731.3<\/td><\/tr>
B\u3001kcal \u00c5 6<\/sup> \/mol<\/th> 837.0<\/td> 600.0<\/td> 610.0<\/td> 653.5<\/td> 850.5<\/td> 736.0<\/td><\/tr>
q(M)<\/th> \u22120.98<\/td> \u22121.07<\/td> \u22121.04<\/td> \u22121.04844<\/td> \u22121.1794<\/td> \u22121.1128<\/td><\/tr>
q(H)<\/th> +0.49<\/td> +0.535<\/td> +0.52<\/td> +0.52422<\/td> +0.5897<\/td> +0.5564<\/td><\/tr><\/table>

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