| 单词 | ab initio computation | 
| 释义 | ab initio computation [´ab ǝ¦nish·ē·ō ´käm·pyǝ`tā·shǝn]  PHYSICAL CHEMISTRY Computation of the geometry of a molecule solely from a knowledge of its composition and molecular structure as derived from the solution of the Schrödinger equation for the given molecule.  | 
	
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