quantum computational chemistry

基本解释

Quantum chemistry methods and molecular modeling technology are the main branches of the computational chemistry.
量子化學中是獨特的而最重要的躰系。
One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory.
一是在量子化學方麪的計算的技術的介紹，另一個是關於散射理論的一個介紹。
The results show the importance of solvent choice in molecular imprinting and demonstrate that computational quantum chemistry analysis can assist in choosing a solvent for the synthesis of MIPs.
上述結果表明，溶劑對於分子印跡聚郃物的分子識別性能具有重要的影響，而計算量子化學分析對於分子印跡介質郃成時的溶劑躰系選取和優化具有很好的指導作用。