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001    EBC3019169 
003    MiAaPQ 
005    20200713055329.0 
006    m     o  d |       
007    cr cnu|||||||| 
008    200713s2008    xx      o     ||||0 eng d 
020    9781611228793|q(electronic bk.) 
020    |z9781604564082 
035    (MiAaPQ)EBC3019169 
035    (Au-PeEL)EBL3019169 
035    (CaPaEBR)ebr10662976 
035    (OCoLC)847659369 
040    MiAaPQ|beng|erda|epn|cMiAaPQ|dMiAaPQ 
050  4 QD461 -- .M36 2008eb 
082 0  547/.6 
100 1  Mandado, Marcos 
245 10 Aromaticity :|bExploring Basic Chemical Concepts with the 
       Quantum Theory of Atoms in Molecules 
264  1 New York :|bNova Science Publishers, Incorporated,|c2008 
264  4 |c©2008 
300    1 online resource (88 pages) 
336    text|btxt|2rdacontent 
337    computer|bc|2rdamedia 
338    online resource|bcr|2rdacarrier 
505 0  Intro -- AROMATICITY: EXPLORING BASIC CHEMICAL CONCEPTS 
       WITH  THE QUANTUM THEORY  OF ATOMS IN MOLECULES -- 
       AROMATICITY: EXPLORING BASIC CHEMICAL CONCEPTS WITH  THE 
       QUANTUM THEORY  OF ATOMS IN MOLECULES -- CONTENTS -- 
       PREFACE -- 1. INTRODUCTION -- 1.1. AN OVERVIEW OF 
       AROMATICITY AND  AROMATICITY INDICES -- 1.2 ELECTRON 
       DELOCALIZATION AND THE FERMI HOLE -- 1.3 GENERALIZATION OF
       THE ELECTRON DELOCALIZATION TO THE CASE OF n-CENTERS USING
       QTAIM FORMULATION -- 2. TRACKING AROMATICITY AND 
       ANTIAROMATICITY BASED ON n-DIS. THE n-DEPENDENCE OF THE 
       INDEX -- 3. APPLICATIONS OF THE n-DIS: THE STUDY OF 
       AROMATICITY -- 3.1 TOTAL AND LOCAL AROMATICITY IN SMALL 
       AROMATIC COMPOUNDS. COMPARISON  WITH OTHER AROMATICITY 
       INDICES -- 3.2 TOTAL AND LOCAL AROMATICITY IN LARGE PAHS 
       COMPARISON WITH THE CGT -- 3.2.1 Total Aromaticity in 
       Large PAHs -- 3.2.2 Local Aromaticity in Large PAHs -- 
       3.2.2.1 First Criterion of Local Aromaticity -- 3.2.2.2 
       Second Criterion of Local Aromaticity -- 3.3 THE ROLE OF 
       THE ELECTRON DELOCALIZATION ON THE STABILITY OF AROMATIC 
       POSITION ISOMERS -- 3.3.1 Monoheterocycles -- 3.3.2 
       Polyheterocycles -- 3.4 APPLICATIONS OF THE n-DIS TO THE 
       STUDY OF PERICYCLIC REACTIONS -- 3.4.1 Characterization of
       Aromatic TS -- 3.4.2 Tracking the Multicenter Electron 
       Delocalization along the Reaction Path -- 4. MULTICENTER 
       ELECTRON DELOCALIZATION IN ALL- METAL COMPOUNDS -- 4.1 
       ELECTRON DELOCALIZATION AND BINDING ENERGY IN BIMETALLIC 
       CLUSTERS MAl4- (M=Li,Na,Cu) AND MAl4 (M=Mg,Zn) -- 4.2 
       ELECTRON DELOCALIZATION IN Li3Al4- AND Li4Al4 -- 
       REFERENCES 
588    Description based on publisher supplied metadata and other
       sources 
590    Electronic reproduction. Ann Arbor, Michigan : ProQuest 
       Ebook Central, 2020. Available via World Wide Web. Access 
       may be limited to ProQuest Ebook Central affiliated 
       libraries 
650  0 Aromaticity (Chemistry);Molecular structure.;Quantum 
       chemistry 
655  4 Electronic books 
700 1  González Moa, María J 
700 1  Mosquera, Ricardo A 
776 08 |iPrint version:|aMandado, Marcos|tAromaticity : Exploring
       Basic Chemical Concepts with the Quantum Theory of Atoms 
       in Molecules|dNew York : Nova Science Publishers, 
       Incorporated,c2008|z9781604564082 
856 40 |uhttps://ebookcentral.proquest.com/lib/sinciatw/
       detail.action?docID=3019169|zClick to View