LEADER 01798nam 2200397 n 450 001 996392196503316 005 20200824121635.0 035 $a(CKB)4940000000107494 035 $a(EEBO)2240953660 035 $a(UnM)99861749e 035 $a(UnM)99861749 035 $a(EXLCZ)994940000000107494 100 $a19920702d1646 uy | 101 0 $aeng 135 $aurbn||||a|bb| 200 10$aVox plebis, or, The peoples out-cry against oppression, injustice, and tyranny$b[electronic resource] $eWherein the liberty of the subject is asserted, Magna Charta briefly but pithily expounded. Lieutenant Colonell Lilburne's sentence published and refuted. Committees arraigned, goalers condemned, and remedies provided 210 $aLondon printed 1646. $cIn the sitting of Parliament; during which time the presse ought to be free and open, as the Parliament declared to the bishops at the beginning thereof$d[1646] 215 $a[2], 68, [2] p 300 $aAttributed to Richard Overton by Wing. 300 $a[2] p. at end = "The publisher to the reader", which notes two of Lilburnes' books and which includes errata. 300 $aAnnotation on Thomason copy: "Nouemb: 19th. London 1646". 300 $aReproduction of the original in the British Library. 330 $aeebo-0018 606 $aCivil rights$zEngland$vEarly works to 1800 606 $aFreedom of the press$zEngland$vEarly works to 1800 615 0$aCivil rights 615 0$aFreedom of the press 700 $aOverton$b Richard$ffl. 1646.$0134171 801 0$bCu-RivES 801 1$bCu-RivES 801 2$bCStRLIN 801 2$bWaOLN 906 $aBOOK 912 $a996392196503316 996 $aVox plebis, or, The peoples out-cry against oppression, injustice, and tyranny$92343904 997 $aUNISA LEADER 05497nam 2200673 a 450 001 9910830592503321 005 20230617021417.0 010 $a1-280-52011-6 010 $a9786610520114 010 $a3-527-60496-0 010 $a3-527-60167-8 035 $a(CKB)1000000000019383 035 $a(EBL)481411 035 $a(OCoLC)68664072 035 $a(SSID)ssj0000116785 035 $a(PQKBManifestationID)11140078 035 $a(PQKBTitleCode)TC0000116785 035 $a(PQKBWorkID)10058552 035 $a(PQKB)11778864 035 $a(MiAaPQ)EBC481411 035 $a(EXLCZ)991000000000019383 100 $a20040928d2004 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aCalculation of NMR and EPR parameters$b[electronic resource] $etheory and applications /$f[edited by] Martin Kaupp, Michael Bu?hl, Vladimir G. Malkin 210 $aWeinheim $cWiley-VCH$dc2004 215 $a1 online resource (623 p.) 300 $aDescription based upon print version of record. 311 $a3-527-30779-6 320 $aIncludes bibliographical references and index. 327 $aCalculation of NMR and EPR Parameters; Contents; Foreword; List of Contributors; Part A Introductory Chapters; 1 Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters; 2 Theory of NMR parameters. From Ramsey to Relativity, 1953 to 1983; 2.1 Introduction; 2.2 Spin-Spin Coupling; 2.3 Chemical Shifts; 2.4 General Aspects; 2.5 From 1983 to 2003; 3 Historical Aspects of EPR Parameter Calculations; 4 The Effective Spin Hamiltonian Concept from a Quantum Chemical Perspective; 5 Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters; 5.1 Introduction 327 $a5.2 Classical Theory of the Interaction of a Charged Particle with an Electromagnetic Field5.3 Quantum Mechanical Hamiltonians in a Time-Independent Electromagnetic Field; 5.4 Perturbation Theory of Magnetic Effects; 5.5 Non-Relativistic Theory of EPR and NMR Parameters; 5.6 Relativistic Theory of Magnetic Properties; 5.7 The Leading Relativistic Corrections; 5.8 Concluding Remarks; Part B NMR Parameters, Methodological Aspects; 6 Chemical Shifts with Hartree-Fock and Density Functional Methods; 6.1 Introduction; 6.2 Linear Response and the Gauge Origin Problem 327 $a6.3 Determination of the First-Order Orbitals6.4 Distributed Gauge Origins, IGLO and GIAO Approaches; 6.5 Distributed Gauge Origins in Real Space, a "Continuous Set of Gauge Transformations"; 6.6 Beyond Pure Density Functional Theory; 6.7 Conclusions; 7 Spin-Spin Coupling Constants with HF and DFT Methods; 7.1 Introduction; 7.2 The Calculation of Indirect Nuclear Spin-Spin Coupling Constants; 7.3 Examples of Applications; 7.4 Conclusions; 8 Electron-Correlated Methods for the Calculation of NMR Chemical Shifts; 8.1 Introduction; 8.2 Theoretical Background 327 $a8.3 Electron-Correlated Treatment of NMR Chemical Shifts8.4 Special developments; 8.5 Numerical Results; 8.6 Summary and Outlook; 9 Semiempirical Methods for the Calculation of NMR Chemical Shifts; 9.1 Introduction; 9.2 Methods; 9.3 Representative Applications; 9.4 Concluding Remarks: Limitations of Semiempirical Methods for the Calculation of NMR Parameters; 10 Ro-Vibrational Corrections to NMR Parameters; 10.1 Introduction; 10.2 Perturbation Theory; 10.3 Other Approaches for Calculating Vibrationally Averaged NMR Properties; 10.4 Examples of Vibrational Contributions to NMR Properties 327 $a10.5 Summary11 Molecular Dynamics and NMR Parameter Calculations; 11.1 Introduction; 11.2 Methods; 11.3 Examples; 11.4 Summary and Conclusions; 12 Use of Continuum Solvent Models in Magnetic Resonance Parameter Calculations; 12.1 Introduction; 12.2 General Features of Continuum Models; 12.3 Applications of Continuum Models to the Prediction of NMR Parameters; 12.4 Applications of Continuum Models to the Prediction of EPR Parameters; 12.5 Conclusions; 13 Perturbational and ECP Calculation of Relativistic Effects in NMR Shielding and Spin-Spin Coupling; 13.1 Introduction 327 $a13.2 Nuclear Shielding and Spin-Spin Coupling 330 $aThis is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view.Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters 606 $aNuclear magnetic resonance spectroscopy 606 $aElectron paramagnetic resonance spectroscopy 606 $aQuantum chemistry 615 0$aNuclear magnetic resonance spectroscopy. 615 0$aElectron paramagnetic resonance spectroscopy. 615 0$aQuantum chemistry. 676 $a543 676 $a543.66 676 $a543/.66 701 $aKaupp$b Martin$0975546 701 $aBu?hl$b Michael$0975547 701 $aMalkin$b Vladimir G$0975548 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910830592503321 996 $aCalculation of NMR and EPR parameters$92221367 997 $aUNINA