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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
210  1$aBoca Raton :$cTaylor & Francis,$d[2017]
210  4$dİ2017
215   $a1 online resource (240 pages) $cillustrations
300   $aA CRC title.
311   $a0-367-86484-3 
311   $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.
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