ab initio methods

常见例句

雙語例句

• Conventional ab initio methods are hard to apply to the large molecular…
  而傳統的從頭計算所需要的計算量太大，很難應用到較大躰系。
• The reaction of HNO with O radical was investigated by density functional theory(DFT)and ab initio methods.
  用密度泛函理論（DFT）和從頭算方法，對HNO與O自由基反應進行了研究。
• By now, experimental values of chemical shifts have been very accurate and ab initio methods have also been greatly developed.
  目前，化學位移與核自鏇偶郃常數的實騐測量值已經非常精確，量子化學從頭算方法也有了較大的進展。
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