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    Chemical Physics and Quantum Chemistry

    Chemical Physics and Quantum Chemistry

    - Volume 81

    Forfatter: info mangler
    Bog
    • Format
    • Bog, hardback
    • Engelsk

    Beskrivelse

    Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes.

    Læs hele beskrivelsen
    Detaljer
    • SprogEngelsk
    • Sidetal350
    • Udgivelsesdato18-09-2020
    • ISBN139780128197578
    • Forlag Academic Press Inc
    • FormatHardback
    Størrelse og vægt
  • Vægt680 g
    • coffee cup img
    10 cm
    book img
    15,2 cm
    22,9 cm

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    Sampling Creativity Information theory Machine learning Control Symmetry Ionization Kinetics Cations Charge transfer Arginine Photoisomerization Bisphenol A Time-dependent Schrödinger equation Parity Violation Hartree-Fock theory Optimal control theory Photophysical processes Time-dependent Density-functional Theory Range-Separated Functionals Theoretical chemistry Spectroscopy Kubo formula Nuclear Spin Symmetry Complexity High harmonic generation MPI Bpa Parallelization Kernel ridge regression Histone Lysine Quantum-mechanics Photolysis Nucleosome Acoustic phonon Bound state stability Born–Oppenheimer approximations Constants of motion charge mobility Farthest-point sampling Dipole approximation D states of the lithium atom Explicitly correlated Gaussian functions Dissipation of energy GVVPT2 Hydride ion Intramolecular primary processes Electron Dynamics Electronic structure software Hydrogen anion Electronic wavepackets ?-Machine learning Excited-state proton transfer Macroconfiguration Multireference perturbation methods Near-infrared fluorescent proteins Machine learning nonadiabatic excited-state dynamics Machine learning potential energy surface Optical phonon Gaussian functions for Born–Oppenheimer calculations Isotopic shifts of interstate transitions Semiempirical parameter learning Quantum Yields Rydberg S Tetrapyrrole chromophores Structure-based sampling Organic semiconducting materials MRCISD(TQ) Mathematically proven criteria QM/MM modeling Photoacids Quantum-chemical calculation Photoreceptor proteins Sugar-phosphate backbone

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