LEADER 04230nam 2200673 450 001 9910463857803321 005 20211209000501.0 024 7 $a10.1515/9783110254075 035 $a(CKB)2670000000523355 035 $a(EBL)1130357 035 $a(SSID)ssj0001112639 035 $a(PQKBManifestationID)11632635 035 $a(PQKBTitleCode)TC0001112639 035 $a(PQKBWorkID)11162458 035 $a(PQKB)11178143 035 $a(MiAaPQ)EBC1130357 035 $a(DE-B1597)179220 035 $a(OCoLC)1013941049 035 $a(OCoLC)864831246 035 $a(DE-B1597)9783110254075 035 $a(Au-PeEL)EBL1130357 035 $a(CaPaEBR)ebr10838341 035 $a(CaONFJC)MIL574240 035 $a(OCoLC)865012006 035 $a(EXLCZ)992670000000523355 100 $a20130625h20142014 uy| 0 101 0 $aeng 135 $aurnn#---|u||u 181 $ctxt 182 $cc 183 $acr 200 10$aMathematical chemistry and chemoinformatics $estructure generation, elucidation, and quantitative structure-property relationships /$fAdalbert Kerber [and four others] 210 1$aBerlin :$cWalter de Gruyter GmbH & Co., KG,$d[2014] 210 4$dİ2014 215 $a1 online resource (521 p.) 300 $aDescription based upon print version of record. 311 0 $a3-11-025407-7 311 0 $a3-11-030007-9 320 $aIncludes bibliographical references and index. 327 $tFront matter --$tPreface --$tContents --$tList of figures --$tList of figures --$tList of symbols --$tIntroduction and outline --$t1. Basics of graphs and molecular graphs --$t2. Advanced properties of molecular graphs --$t3. Chirality --$t4. Stereoisomers --$t5. Molecular structure generation --$t6. Supervised statistical learning --$t7. Quantitative structure-property relationships --$t8. Molecular structure elucidation --$t9. Case studies of CASE --$tA. Lists of molecular descriptors --$tB. Substructures for MS classifiers --$tC. Molecular formulas by mass and ion type --$tD. Isomers by mass and molecular formula --$tBibliography --$tIndex 330 $aMore than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary text demonstrating example queries with software packages such as MOLGEN-online Detailed explanations on establishing QSPRs and QSARs as well as structure elucidation using mass spectrometry and structure generation. Aims and Scope This work provides an introduction to mathematical modeling of molecules and the resulting applications (structure generation, structure elucidation, QSAR/QSPR etc.). Most chemists have experimented with some software that represents molecules in an electronic form, and such models and applications are of increasing interest in diverse and growing fields such as drug discovery, environmental science and metabolomics. Furthermore, structure generation remains the only way to systematically create molecules that are not (yet) present in a database. This book starts with the mathematical theory behind representing molecules, explaining chemical concepts in mathematical terms and providing exercises that can be completed online. The later chapters cover applications of the theory, with detailed explanations on QSPR and QSAR investigations and finally structure elucidation combining mass spectrometry and structure generation. This book is aimed in particular at the users of structure generation methods and corresponding techniques, but also for those interested in teaching and learning mathematical chemistry, and for software designers in chemoinformatics. 606 $aCheminformatics 606 $aChemistry$xMathematics 608 $aElectronic books. 615 0$aCheminformatics. 615 0$aChemistry$xMathematics. 676 $a542/.85 700 $aKerber$b Adalbert$042122 702 $aLaue$b Reinhard 702 $aMeringer$b Markus 702 $aRücker$b Christoph 702 $aSchymanski$b Emma 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910463857803321 996 $aMathematical chemistry and chemoinformatics$92448924 997 $aUNINA LEADER 03770nam 2200613 450 001 9910816948803321 005 20230814222058.0 010 $a90-04-34412-8 024 7 $a10.1163/9789004344129 035 $a(CKB)4100000003787465 035 $a(MiAaPQ)EBC5449688 035 $a 2018013257 035 $a(nllekb)BRILL9789004344129 035 $a(EXLCZ)994100000003787465 100 $a20180319d2018 uy 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aGenerosity and refugees $ethe Kosovars in exile /$fBy Robert Carr 210 1$aLeiden ;$aBoston :$cBrill,$d2018. 215 $a1 online resource (335 pages) 225 0 $aBrill's specials in modern history ;$vv. 2 311 $a90-04-34411-X 320 $aIncludes bibliographical references and index. 327 $aPreliminary Material -- Introduction: Generosity, Refugees and Historical Perspectives in Relation to the Kosovars -- The Howard Government, Operation Safe Haven and Media Spin -- Kosovo and the Breakdown of Yugoslavia in the Eyes of the ?West? -- Natural Selection? The Evacuation, Bureaucracy and Governmental Agenda -- Arrival: the Howard Government?s Propaganda Machine in Action -- The Singleton Incident: the Kosovars? Protest for Improved Conditions at the Safe Haven -- The End of Operation Safe Haven: Repatriation and the High Court Challenge -- Conclusion: the Kosovars and Generosity in Context -- Appendix 1: Images of Kosovar Children, April to Early May 1999 -- Appendix 2: Images of the Kosovar Refugees Before and After Their Arrival in Australia -- Appendix 3: Images of the First Kosovar Refugees to Land at Sydney Airport in the Telegraph -- Appendix 4: Images of the Kosovar Refugees in The Australian -- Appendix 5: Media Images of the Singleton Barracks -- Appendix 6: Media Images of the Salihus -- Bibliography -- Index. 330 $aGenerosity and Refugees: The Kosovars in Exile is a work of history studying the social and political context encountered by Kosovar refugees fleeing their homeland to Australia at the height of the NATO-led war against Serbian forces in 1999. The flight of the Kosovar refugees changed Australia's asylum seeker policy forever, and a new test for international humanitarianism had begun. Today refugee crises globally beg the international community to embrace a generosity of spirit. A question this book asks is whether there are limits to generosity, inhibited by nationally contextual and historical perspectives. Generosity and Refugees examines the role of the media in framing public understandings of refugees with intriguing parallels for understanding the contemporary political climate internationally. 410 0$aBrill's Specials in Modern History$v2. 606 $aRefugees$zAustralia 606 $aRefugees$zKosovo (Republic) 606 $aAlbanians$zKosovo (Republic) 606 $aKosovo War, 1998-1999$xRefugees 606 $aRefugees$xGovernment policy$zAustralia 606 $aRefugee camps$zAustralia 606 $aHumanitarian assistance$zAustralia 606 $aRepatriation$zKosovo (Republic) 610 $aKosovars in Australia. 615 0$aRefugees 615 0$aRefugees 615 0$aAlbanians 615 0$aKosovo War, 1998-1999$xRefugees. 615 0$aRefugees$xGovernment policy 615 0$aRefugee camps 615 0$aHumanitarian assistance 615 0$aRepatriation 676 $a949.7103/151 700 $aCarr$b Robert$g(Historian and social researcher)$01384977 801 0$bNL-LeKB 801 1$bNL-LeKB 906 $aBOOK 912 $a9910816948803321 996 $aGenerosity and refugees$94047660 997 $aUNINA