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baiyuefei版主 (文学泰斗)
风雪
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[求助]
再求一段英语的润色，急！！！！帮忙啊高手！！
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投了篇 Jornal of molecular structure，今返回来，说有些地方是弱的英语表达。具体如下，还请高手帮我重写该段话，如果满意，金币可再加，万分感谢，麻烦各位了！！ （本文主要内容是：做了两个有机单晶，得出固相的分子结构的键长，键角信息；同时用理论计算模拟优化出该两个有机物的气相的最稳定的构象，也得到其键长，键角信息。最后将单晶的和计算优化的键长，键角信息进行了比较且得出两者间的差值，证明了理论计算的可靠性） 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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3楼2011-08-09 18:05:32
phu_grassman
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【答案】应助回帖
★
爱与雨下(金币+1): ！！~~ 2011-08-09 16:30:22
baiyuefei(金币+25): 谢谢。 2011-08-09 19:32:43
爱与雨下(金币+1): ！！~~ 2011-08-09 16:30:22
baiyuefei(金币+25): 谢谢。 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. 仅供参考。 |
2楼2011-08-09 15:43:44
