02946nam 2200673Ia 450 991014084310332120200520144314.09786612707650978128270765812827076559780470608852047060885497804706088450470608846(CKB)2670000000035121(EBL)564987(OCoLC)660082574(SSID)ssj0000423401(PQKBManifestationID)11270417(PQKBTitleCode)TC0000423401(PQKBWorkID)10439660(PQKB)11782559(MiAaPQ)EBC564987(Au-PeEL)EBL564987(CaPaEBR)ebr10411602(CaONFJC)MIL270765(OCoLC)419865632(FINmELB)ELB178913(Perlego)2772200(EXLCZ)99267000000003512120091208d2010 uy 0engur|n|---|||||txtccrMolecular structure understanding steric and electronic effects from molecular mechanics /Norman L. Allinger1st ed.Hoboken, N.J. Wileyc20101 online resource (355 p.)Description based upon print version of record.9780470195574 0470195576 Includes bibliographical references and index.Introduction -- Experimental molecular structures -- Molecular structures by computational methods -- Molecular mechanics of alkanes -- Conjugated systems -- “Effects” in organic chemistry -- More “effects” : negative hyperconjugation -- Additional stereochemical effects in carbohydrates -- Lewis bonds -- Crystal structure calculations -- Heats of formation.A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths-the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds.Molecular structurePhysical organic chemistryMolecular structure.Physical organic chemistry.547/.13Allinger Norman L62572MiAaPQMiAaPQMiAaPQBOOK9910140843103321Molecular structure836929UNINA