rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Quantum systems in physics, chemistry and biology
    sub title: theory, interpretation and results
  name:
    name part: Jenkins, Samantha
    role:
      role term: editor.
  name:
    name part: Kirk, Steven R.
    role:
      role term: editor.
  name:
    name part: Maruani, Jean
    name part: 1937-
    role:
      role term: editor.
  name:
    name part: Brändas, Erkki
    role:
      role term: editor.
  type of resource: text
  genre: Electronic books.
  origin info:
    place:
      place term: xx
    date issued: 2019
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource.
  table of contents: Front Cover; Advances in Quantum Chemistry; EDITORIAL BOARD; Quantum Systems in Physics, Chemistry and Biology -- Theory, Interpretation, and Results; Copyright; CONTENTS; CONTRIBUTORS; PREFACE; ANNIVERSARY JEAN MARUANI; One -- Molecular Foundation of Evolution; 1. INTRODUCTION; 2. COMMUNICATION SIMPLICITER; 3. COMPLEX ENOUGH PHYSICAL SYSTEMS; 4. CORRELATED DISSIPATIVE ORDER; 5. POISSON STATISTICS; 6. NECKER CUBE ILLUSION AND THE UPSIDE-DOWN PARADOX; 7. CONCLUSIONS; ACKNOWLEDGMENTS; REFERENCES; Two -- Entanglement Properties of Bound and Resonant Few-Body States; 1. INTRODUCTION
  table of contents: 2. BOUND AND RESONANT STATES2.1 Resonances as Gamow States; 2.2 Complex Scaling Method; 2.3 Spectrum of a Non-Hermitian Operator; 3. DETERMINATION OF THE SPECTRUM OF A NON-HERMITIAN HAMILTONIAN; 3.1 Rayleigh-Ritz Approach; 3.2 Complex Basis; 3.3 Biorthonormal Basis of the HO With Complex Frequency; 4. BIPARTITE ENTANGLEMENT; 4.1 Schmidt Decomposition; 4.2 Two-Particle Case; 5. RESULTS FOR QUASI-ONE DIMENSIONAL GAUSSIAN QD; 6. CONCLUSION; ACKNOWLEDGMENTS; REFERENCES; Three -- How Does Vibrational Excitation Affect the X-Ray Absorption Spectra of Monohydrated Halide and Alkali Metal ...
  table of contents: 1. INTRODUCTION2. METHODS; 2.1 Spectra Calculation Methods; 2.2 Quantum Chemistry Calculation Methods; 3. RESULTS AND DISCUSSIONS; 3.1 Quantum Chemistry Calculation; 3.2 CO Molecule; 3.3 H2O and X<U+0012>H2O; 4. CONCLUSION; ACKNOWLEDGMENTS; REFERENCES; Four -- Complexes of Hyperguinones A and B with a Cu2+ Ion: A DFT Study; 1. INTRODUCTION; 2. COMPUTATIONAL DETAILS; 3. RESULTS; 3.1 Selection and Naming of Conformers and Complexes; 3.2 Conformational Preferences of the Uncomplexed Molecules in Vacuo; 3.3 Complexes of the Three Molecules with a Cu2+ Ion-Results in Vacuo; 4. RESULTS IN SOLUTION
  table of contents: 5. DISCUSSION AND CONCLUSIONSSUPPLEMENTARY DATA; REFERENCES; Five -- Thermodynamics of 5-Bromouracil Tautomerization From First-Principles Molecular Dynamics Simulations; 1. INTRODUCTION; 2. METHODOLOGY; 2.1 General Methodology; 2.2 Mechanistic Approach; 2.3 Free-Energy Calculation; 2.4 Progress of the Trajectories; 2.5 CPMD Methodology; 2.6 Error Evaluation; 2.7 Calculation of High-Level Gas-Phase Tautomerization Energies and Contact Ion Pairs; 3. RESULTS AND DISCUSSION; 4. CONCLUSION; ACKNOWLEDGMENTS; REFERENCES
  table of contents: Six -- Parallel Cascade Selection Molecular Dynamics Simulations for Transition Pathway Sampling of Biomolecules1. INTRODUCTION; 2. METHODOLOGY; 2.1 Basic Idea; 2.2 Parallel Cascade Selection Molecular Dynamics and Its Variants; 2.3 Free Energy Calculations; 2.4 Numerical Details; 3. RESULTS AND DISCUSSION; 3.1 Domain Motion Analysis of T4 Lysozyme by FFM; 3.2 Protein Folding Pathway Analysis of a Mini-Protein (FBPWW28 Domain) by OFLOOD Method; 3.3 Dynamic Order Analysis on Cell Division Dynamics by PaCS-MD; 3.4 Open-to-Closed and Closed-to-Open Structure Transition Pathway Searches by SDS
  note: edited by Samantha Jenkins, Steven R. Kirk, Jean Maruani, Erkki J. Brändas.
  note: Includes index.
  subject:
    topic: Quantum systems
  subject:
    topic: SCIENCE / Energy
  subject:
    topic: SCIENCE / Mechanics / General
  subject:
    topic: SCIENCE / Physics / General
  subject:
    topic: Quantum systems
  classification: QC174.13
  classification: 530.12
  related item:
    identifier: (OCoLC)1040999362
  related item:
    title info:
      title: Advances in quantum chemistry ; v. 78
  identifier: 9780128160855
  identifier: 0128160853
  identifier: 9780128160848
  identifier: 0128160845
  identifier: https://www.sciencedirect.com/science/bookseries/00653276/78
  record info:
    record content source: OPELS
    record creation date: 190110
    record change date: 20200326101158.0
    record identifier: on1081316556
    language of cataloging:
      language term: eng