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100   $a20111220d2012      uy             0
101 0 $aeng
135   $aurcn|||||||||
181   $ctxt
182   $cc
183   $acr
200 10$aDiscovering chemistry with natural bond orbitals$b[electronic resource] /$fFrank Weinhold, Clark R. Landis
210   $aHoboken, N.J. $cWiley$d2012
215   $a1 online resource (350 p.)
300   $aIncludes index.
311   $a1-118-11996-7 
327   $a1. Getting started -- 2. Electrons in atoms -- 3. Atoms in molecules -- 4. Hybrids and bonds in molecules -- 5. Resonance delocalization corrections -- 6. Steric and electrostatic effects -- 7. Nuclear and electronic spin effects -- 8. Coordination and hyperbonding -- 9. Intermolecular interactions -- 10. Transition state species and chemical reactions -- 11. Excited state chemistry.
330   $a"This book is about chemical bonds, their intrinsic energies and the corresponding dissociation energies which are relevant in reactivity problems; it is the first book to detail relatively uncomplicated but physically meaningful approaches to molecular properties, an area important to help understand chemical principles and predict chemical properties. The primary goal of this book is to enable students to gain proficiency in using the NBO program to re-express complex many-electron wavefunctions in terms of intuitive chemical concepts and orbital imagery, with minimal distractions from underlying mathematical or programming details"--$cProvided by publisher.
606   $aChemical bonds
606   $aMolecular orbitals
615  0$aChemical bonds.
615  0$aMolecular orbitals.
676   $a541/.28
686   $aSCI013050$2bisacsh
700   $aWeinhold$b Frank$f1941-$0859689
701   $aLandis$b Clark R.$f1956-$0949222
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910141258203321
996   $aDiscovering chemistry with natural bond orbitals$92145505
997   $aUNINA