05492nam 2200673 450 991046007120332120200520144314.01-4863-0190-8(CKB)3710000000268260(EBL)1824714(SSID)ssj0001415899(PQKBManifestationID)11782746(PQKBTitleCode)TC0001415899(PQKBWorkID)11354438(PQKB)10778755(MiAaPQ)EBC1824714(Au-PeEL)EBL1824714(CaPaEBR)ebr10962256(OCoLC)876846499(EXLCZ)99371000000026826020141107h20142014 uy| 0engur|n|---|||||txtccrSustainable futures linking population, resource and the environment /editors, Jenny Goldie and Katharine BettsCollingwood, Victoria :Csiro Publishing,[2014]©20141 online resource (232 p.)Description based upon print version of record.1-4863-0189-4 Includes bibliographical references and index.Cover; Contents; Author biographies; Introduction; 1 It's the numbers, stupid!; Endnote; References; 2 The environmental implications of population growth; Population growth in Australia; Population size, agricultural intensification and environmental impacts; The education-environment paradox; References; 3 Whither wildlife in an overpopulated world?; Introduction; Australia's human population; People and wildlife in Australia - pre-1788; People and wildlife in Australia - 1788 to the present; Direct effects of people on wildlife; Indirect effects of people on wildlife; Back to the futureConclusionsAcknowledgements; Further reading; Endnotes; References; 4 The outlook for population growth in Australia; Sources of NOM; The permanent program; Temporary migrants; Working holiday makers; Temporary migrants on 457 visas; The momentum towards higher migration; References; 5 What population growth will do to Australia's society and economy; So what are we in for over the next 80 years or so?; Food and water and energy; Security; Infrastructure and services; Economic rocks ahead; House prices; Politicians pretending not to see; Endnotes; References6 Ageing paranoia, its fictional basis and all too real costsThe importance of our population choice; Nations fear ageing more than overpopulation; Ageing is an inevitable but self-limiting feature of the demographic transition; The '3Ps': GDP = Population x Participation x Productivity; Demand and supply of labour; The real world experiment; How will we afford the pensions?; Health care is a growth industry; Depopulation dividends; The ageing crisis we are choosing; Just another Millennium Bug?; References; 7 The propaganda campaign against peaking fossil fuel productionEnergy and civilisationFuture rates of fossil fuel production; Net energy production; Threats to the fossil fuel industries and their responses; Inaccurate energy forecasts by the IEA; Climate change and fossil fuel peaks; The Australian Government's failure to address peak oil; Australia's significant and increasing fuel insecurity; References; 8 The coming radical change in mining practice; Mining is not as viable as it used to be - why?; Decreasing grade; Increase in required energy versus peak energy production; Peak total energy; The Big Picture; The writing on the wall for us allReferences9 Coal: nails in the global coffin; Endnote; References; 10 Save the soil to save the planet; Introduction; Current situation; Soils for Life focus on soil, water and vegetation; Healthy soils; Water; Vegetation; Soils for Life program; Soil advocacy; Conclusion; References; 11 Food, land and water: lessons from the Murray-Darling Basin; 12 Balancing water use for food and the environment: looking to the North based on lessons from the South; Setting the scene; Understanding the causes of environmental damage arising from agricultureIs there a case for major expansion of irrigation in northern Australia?Sustainable Futures explores the links between population growth, diminishing resources and environmental challenges, and the implications for Australia's future. Written by leaders in their field, and based on presentations from the 2013 Fenner Conference on 'Population, Resources and Climate Change', this book is a timely insight into the intertwined challenges that we currently face, and what can be done to ensure a sustainable and viable future.The book identifies the major areas of concern for Australia's future, including environmental, social and economic implications of population growSustainable developmentAustraliaPopulationEnvironmental aspectsAustraliaNatural resourcesAustraliaEnvironmental policyAustraliaElectronic books.Sustainable developmentPopulationEnvironmental aspectsNatural resourcesEnvironmental policy333.720994Goldie JennyBetts KatharineMiAaPQMiAaPQMiAaPQBOOK9910460071203321Sustainable futures2007145UNINA05611nam 2200793Ia 450 991081893810332120230725045411.097835276364193527636412978128386977512838697729783527636426352763642097835276364023527636404(CKB)3280000000000281(EBL)822720(OCoLC)797919284(SSID)ssj0000627834(PQKBManifestationID)11368949(PQKBTitleCode)TC0000627834(PQKBWorkID)10701461(PQKB)11481573(OCoLC)773106765(MiAaPQ)EBC822720(Au-PeEL)EBL822720(CaPaEBR)ebr10631303(CaONFJC)MIL418227(Perlego)1014258(EXLCZ)99328000000000028120111003d2011 uy 0engur|n|---|||||txtccrModeling of molecular properties /edited by Peter Comba2nd ed.Weinheim Wiley-VCHc20111 online resource (513 p.)Description based upon print version of record.9783527330218 3527330216 Includes bibliographical references and index.Modeling of Molecular Properties; Contents; Preface; List of Contributors; Part One: Theory and Concepts; 1 Accurate Dispersion-Corrected Density Functionals for General Chemistry Applications; 1.1 Introduction; 1.2 Theoretical Background; 1.2.1 Double-Hybrid Density Functionals; 1.2.2 London-Dispersion-Corrected DFT; 1.3 Examples; 1.3.1 GMTKN30; 1.3.2 A Mechanistic Study with B2PLYP-D; 1.3.3 Double-Hybrids for Excited States; 1.4 Summary and Conclusions; References; 2 Free-Energy Surfaces and Chemical Reaction Mechanisms and Kinetics; 2.1 Introduction; 2.2 Elementary Reactions2.3 Two Consecutive Steps2.4 Multiple Consecutive Steps; 2.5 Competing Reactions; 2.6 Catalysis; 2.7 Conclusions; References; 3 The Art of Choosing the Right Quantum Chemical Excited-State Method for Large Molecular Systems; 3.1 Introduction; 3.2 Existing Excited-State Methods for Medium-Sized and Large Molecules; 3.2.1 Wavefunction-Based ab initio Methods; 3.2.2 Density-Based Methods; 3.3 Analysis of Electronic Transitions; 3.4 Calculation of Static Absorption and Fluorescence Spectra; 3.5 Dark States; 3.5.1 Excited Electronic States with Large Double Excitation Character3.5.2 Charge-Transfer Excited States3.6 Summary and Conclusions; References; 4 Assigning and Understanding NMR Shifts of Paramagnetic Metal Complexes; 4.1 The Aim and Scope of the Chapter; 4.2 Basic Theory of Paramagnetic NMR; 4.2.1 The Origin of the Hyper.ne Shift; 4.2.1.1 The Contact Shift; 4.2.1.2 The Pseudocontact Shift; 4.2.2 Relaxation and Line Widths; 4.2.2.1 Electronic Relaxation; 4.2.2.2 Dipolar Relaxation; 4.2.2.3 Contact Relaxation; 4.2.2.4 Curie Relaxation; 4.2.3 Advice for Recording Paramagnetic NMR Spectra; 4.3 Signal Assignments; 4.3.1 Comparison of Similar Compounds4.3.2 Separation of Contact and Pseudocontact Shift4.3.3 Estimating the Dipolar Contributions; 4.3.4 DFT-Calculation of Spin-Densities; 4.4 Case Studies; 4.4.1 Organochromium Complexes; 4.4.2 Nickel Complexes; References; 5 Tracing Ultrafast Electron Dynamics by Modern Propagator Approaches; 5.1 Charge Migration Processes; 5.1.1 Theoretical Considerations of Charge Migration; 5.2 Interatomic Coulombic Decay in Noble Gas Clusters; 5.2.1 Theoretical Considerations of ICD; References; 6 Natural Bond Orbitals and Lewis-Like Structures of Copper Blue Proteins6.1 Introduction: Localized Bonding Concepts in Copper Chemistry6.2 Localized Bonds and Molecular Geometries in Polyatomic Cu Complexes; 6.3 Copper Blue Proteins and Localized Bonds; 6.4 Summary; References; 7 Predictive Modeling of Molecular Properties: Can We Go Beyond Interpretation?; 7.1 Introduction; 7.2 Models and Modeling; 7.3 Parameterized Classical and Quantum Mechanical Theories; 7.4 Predictive Energies and Structures; 7.5 Other Gas-Phase Properties; 7.6 Solvent Effects: The Major Problem; 7.7 Reaction Selectivity; 7.8 Biological and Pharmaceutical Modeling; 7.8.1 SAR Modeling7.8.2 Force Fields, Docking, and ScoringMolecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 BiochemistryChemistry, InorganicChemistry, OrganicMoleculesModelsBiochemistry.Chemistry, Inorganic.Chemistry, Organic.MoleculesModels.541.220113620.11299Comba Peter621773MiAaPQMiAaPQMiAaPQBOOK9910818938103321Modeling of molecular properties3984295UNINA