02739nam 2200601 a 450 991014125820332120230801223519.01-280-77867-997866136890611-118-22919-31-118-22910-X1-118-22916-9(CKB)2670000000209127(EBL)822084(OCoLC)801405891(SSID)ssj0000677280(PQKBManifestationID)11415839(PQKBTitleCode)TC0000677280(PQKBWorkID)10685410(PQKB)10534230(MiAaPQ)EBC822084(Au-PeEL)EBL822084(CaPaEBR)ebr10575517(CaONFJC)MIL368906(EXLCZ)99267000000020912720111220d2012 uy 0engurcn|||||||||txtccrDiscovering chemistry with natural bond orbitals[electronic resource] /Frank Weinhold, Clark R. LandisHoboken, N.J. Wiley20121 online resource (350 p.)Includes index.1-118-11996-7 1. 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."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"--Provided by publisher.Chemical bondsMolecular orbitalsChemical bonds.Molecular orbitals.541/.28SCI013050bisacshWeinhold Frank1941-859689Landis Clark R.1956-949222MiAaPQMiAaPQMiAaPQBOOK9910141258203321Discovering chemistry with natural bond orbitals2145505UNINA