Anticipating Molecular Polarity. III A Graph-Theoretical Approach to Semiempirical #pi#-Polarizations of Non-Althernant Monocycles and Bicycles

Mathias Ugelstad Frederiksen; Richard Francis Langler; Mark Andrew Staples; Sachin Dev Verma

首页> 外文期刊>Australian Journal of Chemistry: A Journal for the Publication of Original Research in All Branches of Chemistry >Anticipating Molecular Polarity. III A Graph-Theoretical Approach to Semiempirical #pi#-Polarizations of Non-Althernant Monocycles and Bicycles

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Anticipating Molecular Polarity. III A Graph-Theoretical Approach to Semiempirical #pi#-Polarizations of Non-Althernant Monocycles and Bicycles

机译：预期分子极性。 III基于图论的非Alternantant单轮自行车和自行车的半经验＃pi＃-极化

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摘要

A straightforward graph-theoretical approach to anticipating PM3 semiempirical molecular orbital #pi#-polarizations for non-alternant monocycles and bicycles is described. This approach allows one to see the relationship between hydrocarbon structural relatives and their calcuated polarities

机译：描述了一种简单的图论方法来预测非替代单轮车和自行车的PM3半经验分子轨道＃pi＃极化。这种方法使人们可以看到烃类结构亲戚与其计算出的极性之间的关系。

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来源
《Australian Journal of Chemistry: A Journal for the Publication of Original Research in All Branches of Chemistry》 |2000年第6期|共6页
作者
Mathias Ugelstad Frederiksen; Richard Francis Langler; Mark Andrew Staples; Sachin Dev Verma;
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正文语种 eng
中图分类化学;
关键词
chemical graph theory; non-alternant hydrocarbon polarity; norgraphs; pm3 calculations;

机译：化学图论;非交替烃极性;正电子;pm3计算;

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1. Anticipating Molecular Polarity. III A Graph-Theoretical Approach to Semiempirical #pi#-Polarizations of Non-Althernant Monocycles and Bicycles [J] . Mathias Ugelstad Frederiksen, Richard Francis Langler, Mark Andrew Staples, Australian Journal of Chemistry: A Journal for the Publication of Original Research in All Branches of Chemistry . 2000,第6期

机译：预期分子极性。 III基于图论的非Alternantant单轮自行车和自行车的半经验＃pi＃-极化
2. Anticipating Molecular Polarity. II A Graph-Theoretical Approach to Huckel #pi#-Polarizations of Non-Alternant Monocycles and Bicycles [J] . Richard Francis Langler Australian Journal of Chemistry: A Journal for the Publication of Original Research in All Branches of Chemistry . 2000,第6期

机译：预期分子极性。 II基于图论的非替代单轮自行车和自行车的Huckel＃pi＃极化
3. Anticipating Molecular Polarity. IV A Semiempirical Study of #pi#-Polarizations in Non-Alternant Hydrocarbon Radicals with Graph-Theoretical and Perturbational Analyses [J] . Richard Francis Langler Australian Journal of Chemistry: A Journal for the Publication of Original Research in All Branches of Chemistry . 2001,第4期

机译：预期分子极性。 IV用图论和微扰分析对非替代烃基自由基中的π-π极化进行的半实证研究
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Anticipating Molecular Polarity. III A Graph-Theoretical Approach to Semiempirical #pi#-Polarizations of Non-Althernant Monocycles and Bicycles

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