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baiyuefei版主 (文學(xué)泰斗)
風(fēng)雪
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[求助]
再求一段英語的潤色，急�。。�！幫忙啊高手�。�
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投了篇 Jornal of molecular structure，今返回來，說有些地方是弱的英語表達(dá)。具體如下，還請高手幫我重寫該段話，如果滿意，金幣可再加，萬分感謝，麻煩各位了��！ （本文主要內(nèi)容是：做了兩個有機(jī)單晶，得出固相的分子結(jié)構(gòu)的鍵長，鍵角信息；同時用理論計算模擬優(yōu)化出該兩個有機(jī)物的氣相的最穩(wěn)定的構(gòu)象，也得到其鍵長，鍵角信息。最后將單晶的和計算優(yōu)化的鍵長，鍵角信息進(jìn)行了比較且得出兩者間的差值，證明了理論計算的可靠性） The last paragraph of section "3.3" is poorly written and should be recomposed as "The conformations of investigated molecules are mainly restrained by hydrogen bonds and electrostatic interactions. In crystals, there are both intramolecular and intermolecular electrostatic interactions. While in the optimized single molecule, the intermolecular interactions are absent, and the intramolecular ones are stronger than those in crystals. The variations of intermolecular interactions from crystal to single molecules should be responsible for the above described geometry differences. The observed disagreement between computation and experiment could be a consequence of the anharmonicity and the general tendency that quantum chemical methods overestimate the force constants at the exact equilibrium geometry." |
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phu_grassman
榮譽(yù)版主 (知名作家)
快樂島、布吉島島主
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【答案】應(yīng)助回帖
★
愛與雨下(金幣+1): ��！~~ 2011-08-09 16:30:22
baiyuefei(金幣+25): 謝謝。 2011-08-09 19:32:43
愛與雨下(金幣+1): ��！~~ 2011-08-09 16:30:22
baiyuefei(金幣+25): 謝謝。 2011-08-09 19:32:43
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The conformations of the investigated molecules are mainly affected by the hydrogen bond and the electrostatic interaction. Both the intramolecular and the intermolecular electrostatic interaction exist in the crystals, while the intermolecular interaction disappears and the intramolecular interaction becomes stronger in the optimized single molecules. The change of the intermolecular interaction from crystals to single molecules should be attributed to the different geometry described above. The difference between the computing value and the experimental value could be a result of the anharmonicity and the general tendency that the force constant of the exact equilibrium geometry is overestimated by quantum chemical methods. 僅供參考。 |
2樓2011-08-09 15:43:44
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3樓2011-08-09 18:05:32
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