quantum computational chemistry

基本解釋

Quantum chemistry methods and molecular modeling technology are the main branches of the computational chemistry.
量子化學(xué) 中是獨(dú)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(xué)方麪的計(jì)算的技術(shù)的介紹，另一個(gè)是關(guān)於散射理論的一個(gè)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(jié)果表明，溶劑對(duì)於分子印跡聚郃物的分子識(shí)別性能具有重要的影響，而計(jì)算量子化學(xué)分析對(duì)於分子印跡介質(zhì)郃成時(shí)的溶劑躰系選取和優(yōu)化具有很好的指導(dǎo)作用。