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1.

電子ブック

EB
William S. Price
出版情報: Cambridge University Press Online Books , Leiden : Cambridge University Press, 2009
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Preface
Acknowledgements
Abbreviations
Diffusion and its measurement / 1:
Introduction / 1.1:
Types of translational motion-physical interpretation and significance / 1.2:
Mathematical modelling of self-diffusion / 1.3:
Propagation / 1.4:
Solving the diffusion equation / 1.5:
Mean square displacement, time-dependent diffusion coefficients and the diffusion ellipsoid / 1.6:
Measurement timescales and restricted diffusion / 1.7:
Diffusion in heterogeneous, porous and polymer systems / 1.8:
Flow in porous media / 1.9:
Techniques for measuring diffusion / 1.10:
References
Theory of NMR diffusion and flow measurements / 2:
Nuclear spins, magnetic gradients and motion / 2.1:
Correlating the PGSE signal attenuation with diffusion / 2.3:
Oscillating gradients, higher-order gradient pulse trains and probing Dw(w) / 2.4:
PGSE of freely diffusing multicomponent systems / 2.5:
The long-range dipolar field and multiple echoes / 2.6:
PGSE measurements in simple porous systems / 3:
Experimental determination of &Pbar;(R, δ) / 3.1:
Experimental determination of the moments of &Pbar;(R, δ) / 3.3:
The spectral function and the return to origin probability / 3.4:
Diffusive diffraction / 3.5:
An example - diffusion between planes / 3.6:
Diffusion in reflecting spheres / 3.7:
Size distributions of the restricting geometry / 3.8:
Finite gradient pulses and the validity of the SGP and GPD approximations / 3.9:
Other methods for determining E(q, δ) / 3.10:
PGSE measurements in complex and exchanging systems / 4:
Simple binding and exchange: the ärger equations / 4.1:
Exchange between free and restricted sites / 4.3:
Anisotropic and low dimensional diffusion / 4.4:
General porous media / 4.5:
Polymer diffusion / 4.6:
Flow and velocity distributions / 4.7:
Internal magnetic field gradients / 4.8:
PGSE hardware / 5:
Gradient coils and fringe fields / 5.1:
Current amplifiers / 5.3:
Connecting to the spectrometer / 5.4:
Field-frequency locking / 5.5:
Temperature control and calibration / 5.6:
Setup and analysis of PGSE experiments / 6:
Selection of PGSE parameters / 6.1:
Sample preparation / 6.3:
Gradient calibration / 6.4:
Analysis / 6.5:
PGSE hardware and sample problems / 7:
RF problems / 7.1:
Radiation damping and long-range dipolar field effects / 7.3:
Convection and flow compensation / 7.4:
Gradient constancy / 7.5:
Background gradients / 7.6:
Eddy currents and perturbation of B0 / 7.7:
Gradient mismatch and sample movement / 7.8:
Cross relaxation / 7.9:
Homonuclear scalar couplings / 7.10:
Specialised PGSE and related techniques / 8:
Steady gradient and stray field measurements / 8.1:
Multiple quantum and heteronuclear / 8.3:
Fast sequences / 8.4:
Distributions of relaxation times / 8.5:
Multi-dimensional mixture separation and diffusion editing / 8.6:
Double PGSE and multi-dimensional correlations / 8.7:
Flow measurements / 8.8:
Electrophoretic NMR / 8.9:
Multiple spin-echoes and miscellaneous / 8.10:
NMR imaging studies of translational motion / 9:
Imaging - basic concepts / 9.1:
Combining PGSE measurements with imaging / 9.3:
Imaging-based flow measurements / 9.4:
B1 gradient methods / 10:
B1 gradients / 10.1:
B1 gradient diffusion measurements / 10.3:
Miscellaneous / 10.4:
Applications / 11:
Introduction and reviews / 11.1:
Applications to high-resolution NMR / 11.2:
Biological and pharmaceutical studies / 11.3:
Chemical and material studies / 11.4:
Spin-diffusion / 11.5:
Imaging-based studies / 11.6:
Appendix
Index
Preface
Acknowledgements
Abbreviations
2.

電子ブック

EB
Patrick W. M. Jacobs
出版情報: Cambridge University Press Online Books , Cambridge : Cambridge University Press, 2005
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Preface / 1:
The elementary properties of groups
Notation and conventions / 2:
Symmetry operators and point groups
Matrix representations / 3:
Group representations / 4:
Definitions / 5:
Bases of representations
Molecular orbitals / 1.2:
Conjugate elements and classes
Crystal field theory / 7:
Subgroups and cosets / 8:
Double groups
Molecular vibrations / 1.4:
The factor group
Transitions between electronic states / 10:
Minimal content of Sections 1.6, 1.7, and 1.8 / 11:
The rotation group
Projective representations / 1.6:
Product groups
Time-reversal symmetry / 13:
Mappings, homomorphisms, and extensions / 14:
The crystallographic magnetic point groups
Macroscopic properties of crystals / 1.8:
More about subgroups and classes
Space groups / 16:
Problems
Electronic energy states in crystals / 17:
The vibration of atoms in crystals / 18:
Appendices / 2.1:
The multiplication table - an example / 2.2:
The symmetry point groups / 2.3:
Identification of molecular point groups / 2.4:
Matrix representatives
Linear vector spaces / 3.1:
Matrix representatives of operators / 3.2:
Mappings / 3.3:
Transformation of functions / 3.4:
Some quantum mechanical considerations / 3.6:
Irreducible representations / 4.1:
The orthogonality theorem / 4.3:
The characters of a representation / 4.4:
Character tables / 4.5:
Axial vectors / 4.6:
Cyclic groups / 4.7:
Induced representations / 4.8:
Basis functions / 5.1:
Construction of basis functions / 5.2:
Direct product representations / 5.3:
Matrix elements / 5.4:
Hybridization / 6.1:
[pi] Electron systems / 6.2:
Equivalent bond orbitals / 6.3:
Transition metal complexes / 6.4:
Crystal-field theory
Electron spin / 7.1:
Spherical symmetry / 7.2:
Intermediate crystal field / 7.3:
Strong crystal fields / 7.4:
Spin-orbit coupling and double groups / 8.1:
Weak crystal fields / 8.2:
Classification of normal modes / 9.1:
Allowed transitions / 9.2:
Inelastic Raman scattering / 9.3:
Determination of the normal modes / 9.4:
Selection rules / 10.1:
Vibronic coupling / 10.2:
Charge transfer / 10.3:
Continuous groups
Rotations in R[superscript 2] / 11.1:
The infinitesimal generator for SO(2) / 11.2:
Rotations in R[superscript 3] / 11.3:
The commutation relations / 11.4:
The irreducible representations of SO(3) / 11.5:
The special unitary group SU(2) / 11.6:
Euler parameterization of a rotation / 11.7:
The homomorphism of SU(2) and SO(3) / 11.8:
Complex numbers / 12.1:
Quaternions / 12.2:
Geometry of rotations / 12.3:
The theory of turns / 12.4:
The algebra of turns / 12.5:
Improper groups / 12.6:
The irreducible representations / 12.8:
Time evolution / 13.1:
Time reversal with neglect of electron spin / 13.2:
Time reversal with spin-orbit coupling / 13.3:
Co-representations / 13.4:
Magnetic point groups
Crystallographic magnetic point groups / 14.1:
Co-representations of magnetic point groups / 14.2:
Clebsch-Gordan coefficients / 14.3:
Crystal-field theory for magnetic crystals / 14.4:
Physical properties of crystals
Tensors / 15.1:
Crystal symmetry: the direct method / 15.2:
Group theory and physical properties of crystals / 15.3:
Applications / 15.4:
Properties of crystals with magnetic point groups / 15.5:
Translational symmetry / 16.1:
The space group of a crystal / 16.2:
Reciprocal lattice and Brillouin zones / 16.3:
Space-group representations / 16.4:
The covering group / 16.5:
The irreducible representations of G / 16.6:
Herring method for non-symmorphic space groups / 16.7:
Spinor representations of space groups / 16.8:
Translational symmetry in the reciprocal lattice representation / 17.1:
Point group symmetry / 17.4:
Energy bands in the free-electron approximation: symmorphic space groups / 17.5:
Free-electron states for crystals with non-symmorphic space groups / 17.6:
Spinor representations / 17.7:
Vibration of atoms in crystals / 17.8:
Equations of motion / 18.1:
Space-group symmetry / 18.2:
Symmetry of the dynamical matrix / 18.3:
Symmetry coordinates / 18.4:
An example: silicon / 18.5:
Determinants and matrices / A1:
Class algebra / A2:
Character tables for point groups / A3:
Correlation tables / A4:
References
Preface / 1:
The elementary properties of groups
Notation and conventions / 2:
3.

電子ブック

EB
Andrew Michael Ellis, Andrew M. Ellis, Miklos Feher, Miklós Fehér, Timothy G. Wright, Timothy Grahame Wright
出版情報: Cambridge University Press Online Books , Cambridge : Cambridge University Press, 2005
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Preface
List of journal abbreviations
Foundations of electronic and photoelectron spectroscopy / Part I:
Introduction / 1:
The basics / 1.1:
Information obtained from electronic and photoelectron spectra / 1.2:
Electronic structure / 2:
Orbitals: quantum mechanical background / 2.1:
References
Angular momentum in spectroscopy / 3:
Classification of electronic states / 4:
Atoms / 4.1:
Molecules / 4.2:
Molecular vibrations / 5:
Diatomic molecules / 5.1:
Polyatomic molecules / 5.2:
Molecular rotations / 6:
Transition probabilities / 6.1:
Transition moments / 7.1:
Factorization of the transition moment / 7.2:
Experimental techniques / Part II:
The sample / 8:
Thermal sources / 8.1:
Supersonic jets / 8.2:
Matrix isolation / 8.3:
Broadening of spectroscopic lines / 9:
Natural broadening / 9.1:
Doppler broadening / 9.2:
Pressure broadening / 9.3:
Lasers / 10:
Properties / 10.1:
Basic principles / 10.2:
Ion lasers / 10.3:
Nd: YAG laser / 10.4:
Excimer laser / 10.5:
Dye lasers / 10.6:
Titanium:sapphire laser / 10.7:
Optical parametric oscillators / 10.8:
Optical spectroscopy / 11:
Conventional absorption/emission spectroscopy / 11.1:
Laser-induced fluorescence (LIF) spectroscopy / 11.2:
Cavity ringdown (CRD) laser absorption spectroscopy / 11.3:
Resonance-enhanced multiphoton ionization (REMPI) spectroscopy / 11.4:
Double-resonance spectroscopy / 11.5:
Fourier transform (FT) spectroscopy / 11.6:
Photoelectron spectroscopy / 12:
Conventional ultraviolet photoelectron spectroscopy / 12.1:
Synchrotron radiation in photoelectron spectroscopy / 12.2:
Negative ion photoelectron spectroscopy / 12.3:
Penning ionization electron spectroscopy / 12.4:
Zero electron kinetic energy (ZEKE) spectroscopy / 12.5:
ZEKE-PFI spectroscopy / 12.6:
Reference
Further reading
Case Studies / Part III:
Ultraviolet photoelectron spectrum of CO / 13:
Electronic structures of CO and CO[superscript +] / 13.1:
First photoelectron band system / 13.2:
Second photoelectron band system / 13.3:
Third photoelectron band system / 13.4:
Adiabatic and vertical ionization energies / 13.5:
Intensities of photoelectron band systems / 13.6:
Determining bond lengths from Franck-Condon factor calculations / 13.7:
Photoelectron spectra of CO[subscript 2], OCS, and CS[subscript 2] in a molecular beam / 14:
Thrid and fourth photoelectron band systems / 14.1:
Electronic structures: constructing an MO diagram from photoelectron spectra / 14.4:
Photoelectron spectrum of NO[subscript 2 superscript -] / 15:
The experiment / 15.1:
Vibrational structure / 15.2:
Vibrational constants / 15.3:
Structure determination / 15.4:
Electron affinity and thermodynamic parameters / 15.5:
Laser-induced fluorescence spectroscopy of C[subscript 3]: rotational structure in the 300 nm system / 15.6:
Electronic structure and selection rules / 16.1:
Assignment and analysis of the rotational structure / 16.2:
Band head formation / 16.3:
Photoionization spectrum of diphenylamine: an unusual illustration of the Franck-Condon principle / 17:
Vibrational structure in the electronic spectrum of 1,4-benzodioxan: assignment of low frequency modes / 18:
Ab initio calculations / 18.1:
Assigning the spectra / 18.2:
Vibrationally resolved ultraviolet spectroscopy of propynal / 19:
Electronic states / 19.1:
Assigning the vibrational structure / 19.2:
LIF spectroscopy of jet-cooled propynal / 19.3:
Rotationally resolved laser excitation spectrum of propynal / 20:
Assigning the rotational structure / 20.1:
Perpendicular versus parallel character / 20.2:
Rotational constants / 20.3:
Effects of asymmetry / 20.4:
ZEKE spectroscopy of Al(H[subscript 2]O) and Al(D[subscript 2]O) / 21:
Experimental details / 21.1:
Assignment of the vibrationally resolved spectrum / 21.2:
Dissociation energies / 21.3:
Rotational structure / 21.4:
Bonding in Al(H[subscript 2]O) / 21.5:
Rotationally resolved electronic spectroscopy of the NO free radical / 22:
Vibrationally resolved spectroscopy of Mg[superscript +]-rare gas complexes / 23:
Preliminaries: electronic states / 23.1:
Photodissociation spectra / 23.3:
Spin-orbit coupling / 23.4:
Vibrational assignment / 23.5:
Vibrational frequencies / 23.6:
B-X system / 23.7:
Rotationally resolved spectroscopy of Mg[superscript +]-rare gas complexes / 24:
X[superscript 2 Sigma superscript +] state / 24.1:
A[superscript 2 Pi] state / 24.2:
Transition energies and selection rules / 24.3:
Photodissociation spectra of Mg[superscript +]-Ne and Mg[superscript +]-Ar / 24.4:
Vibronic coupling in benzene / 25:
The Herzberg-Teller effect / 25.1:
REMPI spectroscopy of chlorobenzene / 26:
Experimental details and spectrum / 26.1:
Assignment / 26.2:
Spectroscopy of the chlorobenzene cation / 27:
The X[superscript 2]B[subscript 1] state / 27.1:
The B state / 27.2:
Cavity ringdown spectroscopy of the [characters not reproducible] transition in O[subscript 2] / 28:
Experimental / 28.1:
Electronic states of O[subscript 2] / 28.2:
Rotational energy levels / 28.3:
Nuclear spin statistics / 28.4:
Spectrum assignment / 28.5:
Why is this strongly forbidden transition observed? / 28.6:
Units in spectroscopy / Appendix A:
Some fundamental constants and useful unit conversions / A.1:
Electronic structure calculations / Appendix B:
Preliminaries / B.1:
Hartree-Fock method / B.2:
Semiempirical methods / B.3:
Beyond the Hartree-Fock method: allowing for electron correlation / B.4:
Density functional theory (DFT) / B.5:
Software packages / B.6:
Calculation of molecular properties / B.7:
Coupling of angular momenta: electronic states / Appendix C:
Coupling in the general case: the basics / C.1:
Coupling of angular momenta in atoms / C.2:
Coupling of electronic angular momenta in linear molecules / C.3:
Non-linear molecules / C.4:
The principles of point group symmetry and group theory / Appendix D:
Symmetry elements and operations / D.1:
Point groups / D.2:
Classes and multiplication tables / D.3:
The matrix representation of symmetry operations / D.4:
Character tables / D.5:
Reducible representations, direct products, and direct product tables / D.6:
Cyclic and linear groups / D.7:
Symmetrized and antisymmetrized products / D.8:
Selected character tables
More on electronic configurations and electronic states: degenerate orbitals and the Pauli principle / Appendix E:
Fermionic nuclei / E.1:
Bosonic nuclei / F.2:
Coupling of angular momenta: Hund's coupling cases / Appendix G:
Hund's case (a) / G.1:
Hund's case (b) / G.2:
Other Hund's coupling cases / G.3:
Computational simulation and analysis of rotational structure / Appendix H:
Calculating rotational energy levels / H.1:
Calculating transition intensities / H.2:
Determining spectroscopic constants / H.3:
Index
Foundations of Electronic and Photoelectron Spectroscopy: 1 Introduction
Experimental Techniques
Photoelectron spectra of CO2, OCS, and CS2 in a molecular beam
Photoelectron spectrum of NO2âêÆ
Laser-induced fluorescence spectroscopy of C3: rotational structure in the 300 nm system
Photoionization spectrum of diphenylamine: an unusual illustration of the FranckâÇôCondon principle
ZEKE spectroscopy of Al(H2O) and Al(D2O)
Vibrationally resolved spectroscopy of Mg+âÇôrare gas complexes
Rotationally resolved spectroscopy of Mg+âÇôrare gas complexes
Cavity ringdown spectroscopy of the a1âêåâåÉX3âêægâêÆ transition in O2
Appendices
Preface
List of journal abbreviations
Foundations of electronic and photoelectron spectroscopy / Part I:
4.

電子ジャーナル

EJ
出版情報: Elsevier SD Backfile Complete , UNITED STATES : Pergamon
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5.

電子ジャーナル

EJ
出版情報: Elsevier SD Backfile Complete , NETHERLANDS : North-Holland
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6.

電子ジャーナル

EJ
出版情報: Elsevier SD Backfile Complete , Amsterdam, : Elsevier
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7.

電子ジャーナル

EJ
出版情報: Elsevier SD Backfile Complete , Netherlands : North-Holland
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8.

電子ジャーナル

EJ
出版情報: Elsevier SD Backfile Complete , NETHERLANDS : Elsevier
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9.

電子ジャーナル

EJ
出版情報: Elsevier SD Backfile Complete , ENGLAND : Pergamon
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10.

電子ジャーナル

EJ
出版情報: Elsevier SD Backfile Complete , ENGLAND : Pergamon
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