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  <record>
    <language>eng</language>
    
      <publisher>Oriental Scientific Publishing Company</publisher>
    
    <journalTitle>Material Science Research India</journalTitle>
    
      <issn>0973-3469</issn>
    
    
    <publicationDate>2008-11-10</publicationDate>
    

        <volume>5</volume>

        <issue>2</issue>

 

    <startPage>485</startPage>
    <endPage>490</endPage>

   
      <doi></doi>
    
    <publisherRecordId>2108</publisherRecordId>
    <documentType>article</documentType>
    <title language="eng">Theoritical Investigations of Structure of N-Methyl-Salicylideneimine Diethylboron Complex</title>

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    </authors>
    
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    <abstract language="eng"><p>The structure of Et2B(SaldMe) complex of N-methyl salicylidene imine were studied using semi-empirical AM1, PM3, MNDO and MINDO/3 methodologies. For bond lengths, the correlation coefficients obtained for AM1, PM3, MNDO and MINDO/3 methods are 0.966, 0.983, 0.980 and 0.903, respectively. Out of the four semi-empirical methods, PM3 produces most satisfactory correlation between experimental and calculated bond lengths. In the case of bond angle, correlation coefficients are 0.937, 0.934, 0.982 and 0.818 for AM1, PM3, MNDO and MINDO/3 methods, respectively.</p></abstract>

    <fullTextUrl format="html">https://www.materialsciencejournal.org/vol5no2/theoritical-investigations-of-structure-of-n-methyl-salicylideneimine-diethylboron-complex/</fullTextUrl>




      <keywords language="eng">
        <keyword>Semi-empirical methods</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> AM1</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> PM3</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> MNDO and MINDO/3</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> Correlation Coefficient (CC).</keyword>
      </keywords>

  </record>

</records>