02381nam 2200625Ia 450 991045211970332120200520144314.01-280-52748-X97866105274890-19-802509-21-4294-1950-4(CKB)1000000000468086(EBL)271634(OCoLC)476007855(SSID)ssj0000175518(PQKBManifestationID)11163822(PQKBTitleCode)TC0000175518(PQKBWorkID)10190295(PQKB)11205910(MiAaPQ)EBC271634(Au-PeEL)EBL271634(CaPaEBR)ebr10358408(CaONFJC)MIL52748(OCoLC)935260576(EXLCZ)99100000000046808619961030d1997 uy 0engur|n|---|||||txtccrHydrogen bonding[electronic resource] a theoretical perspective /Steve ScheinerNew York Oxford University Press19971 online resource (396 p.)Topics in physical chemistryDescription based upon print version of record.0-19-509011-X Includes bibliographical references and indexes.Contents; Abbreviations; 1 QUANTUM CHEMICAL FRAMEWORK; 2 GEOMETRIES AND ENERGETICS; 3 VIBRATIONAL SPECTRA; 4 EXTENDED REGIONS OF POTENTIAL ENERGY SURFACE; 5 COOPERATIVE PHENOMENA; 6 WEAK INTERACTIONS, IONIC H-BONDS, AND ION PAIRS; Index of Complexes; Subject IndexExplains the literature in which the characteristics of hydrogen bonds have been probed by quantum chemical methods. After an explanation as to how various properties are calculated, this book describes the results that have been obtained in various systems, focusing on the energetics, equilibrium geometries, and vibrational spectras.Topics in physical chemistry.Hydrogen bondingQuantum chemistryElectronic books.Hydrogen bonding.Quantum chemistry.541.2/26Scheiner Steve786828MiAaPQMiAaPQMiAaPQBOOK9910452119703321Hydrogen bonding1752458UNINA