Theoretical investigation of the implicit effects water molecules and resonance interactions on structural stability and NMR tensors of hallucinogenic harmine by density functional calculations

Subject Areas : Journal of Physical & Theoretical Chemistry

neda ahmadinejad ¹ (young research)
arezoo tahan ² (2Semnan branch, Islamic Azad University, Semnan, Iran)
Mostafa Talebi Tari1 ³ (Young Researchers and Elite Club, Yadegar-e-Imam Khomeini(RAH) , Shahr-e-Rey- Branch, Islamic Azad University, Tehran, Iran)

Received: 2016-09-03 Accepted : 2016-12-13 Published : 2016-11-01

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