Response Theory and Molecular Properties (A Tribute to Jan Linderberg and Poul Jørgensen) PDF
351 Pages·2005·2.521 MB·English
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Preview Response Theory and Molecular Properties (A Tribute to Jan Linderberg and Poul Jørgensen)
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Another eagerly awaited volume in this highly acclaimed series. Content: Contents; Contributors; Preface; Jan Linderberg, Scientist, Teacher, Friend; Poul Jørgensen and His Science; Multi-Photon Absorption of Molecules; Two-Bond Spin-Spin Coupling Constants (2hJX-Y) Across X-H-Y Hydrogen Bonds: Some Fundamental Questions; Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2); Angular Symmetry and Hylleraas Coordinates in Four-Body Problems; The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations. Linear Response Properties Required to Simulate Vibrational Spectra of Biomolecules in Various Media: (R)-Phenyloxirane (A Comparative Theoretical and Spectroscopic Vibrational Study)A Theoretical Model to Calculate Fundamental Physical Parameters for Molecule-Particle Interactions; Birefringences: A Challenge for Both Theory and Experiment; The Ab Initio Calculation of Optical Rotation and Electronic Circular Dichroism; Response of a Molecule to Adding or Removing an Electron; A Non-Iterative Numerical Sol. Abstract: Another eagerly awaited volume in this highly acclaimed series
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