Ab initio Hartree-Fock Investigation of 2-Methylindole-3-acetic Acid

Croatica Chemica Acta

Ramek, Michael¹  Tomić, Sanja² 

[1] Institut für Physikalische und Theoretische Chemie, Technische Universität, A-8010 Graz, Austria;Institut Ruđer Bošković, P. O. BOX 180, HR-10002 Zagreb, Croatia

关键词: auxin;    substituent effect;    shape of potential energy surface;    indole-3-acetic acid;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

The potential energy surface (PES) of 2-methylindole-3-acetic acid (2-Me-IAA) has been investigated via RHF/6-31G* and RHF/6-31++G** calculations. With both basis sets, only three symmetry unique local minima with syn orientation of the...

【 授权许可】

Unknown