DFT-and HF-based quantum-chemical conformational analysis of the nematic substituted benzenes

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：yangxfg

【摘要】

：

Determination of the molecular structure,energy and electronic properties,the establishment of the influence of the molecular structure of thermotropic liquid c

【作者】

：

L.K.Abulyaissova M.T.Alimbayeva D.Ye.Aitbekova L.Ph.Dyusembayeva

【机构】

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DepartmentofChemistry,BuketovStateUniversityofKaraganda,KazakhstanChemical-MetallurgicalInstitutenam

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

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2015年6期

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Determination of the molecular structure,energy and electronic properties,the establishment of the influence of the molecular structure of thermotropic liquid crystals(LC)on mesomorphic and physical properties of the mesophases are the main tasks of physical chemistry of liquid crystals,for which the quantum-chemical calculation methods are often used.

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DFT-and HF-based quantum-chemical conformational analysis of the nematic substituted benzenes

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