Structural and electronic properties of the DPPC molecule

Erkoc S; Korkmaz F

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Structural and electronic properties of the DPPC molecule

机译：DPPC分子的结构和电子性质

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摘要

The structural and electronic properties of the DPPC molecule have been investigated theoretically by performing semi-empirical self-consistent-field molecular-orbital theory calculations at the PM3 level in its ground state.

机译：DPPC分子的结构和电子性质已通过在基态PM3级别上进行半经验自洽场分子轨道理论计算进行了理论研究。

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《International Journal of Modern Physics, C. Physics and Computers》 |2006年第7期|共8页
作者
Erkoc S; Korkmaz F;
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正文语种 eng
中图分类物理学;
关键词
DPPC molecule; semi-empirical PM3 method; PHASE DIPALMITOYLPHOSPHATIDYLCHOLINE BILAYER; DYNAMICS SIMULATION; PHOSPHOLIPID MEMBRANE; CONSTANT-PRESSURE; LIPID-BILAYER; CHOLESTEROL; TEMPERATURE; PARAMETERS; ORDER;

机译：DPPC分子;半经验PM3方法;相二棕榈酰磷脂酰胆碱双分子;动力学模拟;磷脂膜;恒压;脂质-双分子膜;胆固醇;温度;参数;订购;

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Structural and electronic properties of the DPPC molecule

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