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005 20240501142546.0
010   $a1-315-35720-8
010   $a1-315-37489-7
010   $a1-4200-9012-7
024 7 $a10.1201/9781315374895 
035   $a(CKB)3710000000912419
035   $a(MiAaPQ)EBC4717704
035   $a(OCoLC)960907049
035   $a(EXLCZ)993710000000912419
100   $a20180331h20172017  uy         0
101 0 $aeng
135   $aurcnu||||||||
181   $2rdacontent
182   $2rdamedia
183   $2rdacarrier
200 10$aBond orders and energy components $eextracting chemical information from molecular wave functions /$fIstvan Mayer, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Budapest, Hungary
205   $a1st ed.
210  1$aBoca Raton :$cTaylor & Francis,$d[2017]
210  4$dİ2017
215   $a1 online resource (240 pages) $cillustrations
300   $aA CRC title.
311 08$a0-367-86484-3 
311 08$a1-4200-9011-9 
320   $aIncludes bibliographical references and index.
327   $a1. Introduction -- 2. Basic ideas of Hilbert space analysis -- 3. A common framework : atomic resolution of identity -- 4. Analysis of the first-order density in Hilbert space -- 5. Effective AOs and effective minimal basis sets -- 6. Bond order and valence indices in the Hilbert space -- 7. Open-shell systems and local spins -- 8. Energy components in the Hilbert space -- 9. Analysis in the three-dimensional space.
330   $aIt provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.
606   $aWave functions
606   $aChemical bonds
606   $aChemical structure
606   $aQuantum chemistry
615  0$aWave functions.
615  0$aChemical bonds.
615  0$aChemical structure.
615  0$aQuantum chemistry.
676   $a541/.22
700   $aMayer$b Istvan$f1943,$0896204
801  0$bFlBoTFG
801  1$bFlBoTFG
906   $aBOOK
912   $a9910136140503321
996   $aBond orders and energy components$92002009
997   $aUNINA