[學習] 一些問題想請教高手解答
跟物化有關係
1.computational methods (B3LYP/6-31+G**)
是計算能量的軟體嗎?
2.integral equation formalism-polarizable continuum (IEF-PCM)
主要用途在何處?
3.intrinsic reaction coordinate (IRC)
是什麼?
4.self-consistent reaction field (SCRF) theory
又是什麼呢?
請知道的大大們不吝給予解答,感激不盡^^
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