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  • Magnetism  (3,728)
  • Computational Chemistry and Molecular Modeling
  • Physics
  • American Physical Society (APS)  (3,728)
  • Wiley-Blackwell  (2,117)
  • Berlin, Heidelberg : Springer  (3)
  • Springer Nature
  • 2015-2019  (3,731)
  • 1985-1989  (2,117)
Collection
Publisher
Language
Years
Year
  • 1
    Unknown
    Berlin, Heidelberg : Springer
    Keywords: Mathematics ; Computer graphics ; Dynamics ; Ergodic theory ; Functions of complex variables ; Differential geometry ; Physics ; Mathematics ; Differential Geometry ; Functions of a Complex Variable ; Dynamical Systems and Ergodic Theory ; Computer Graphics ; Numerical and Computational Physics
    Description / Table of Contents: Discrete conformal maps: Boundary value problems, circle domains, Fuchsian and Schottky uniformization: Alexander I. Bobenko, Stefan Sechelmann, Boris Springborn --- Discrete complex analysis on planar quad-graphs: Alexander I. Bobenko and Felix Günther --- Approximation of conformal mappings using conformally equivalent triangular lattices: Ulrike Bücking --- Numerical Methods for the Discrete Map Za: Folkmar Bornemann, Alexander Its, Sheehan Olver, and Georg Wechslberger --- A variational principle for cyclic polygons with prescribed edge lengths: Hana Kourimská, Lara Skuppin, Boris Springborn --- Complex Line Bundles over Simplicial Complexes and their Applications: Felix Knöppel and Ulrich Pinkall --- Holomorphic vector fields and quadratic differentials on planar triangular meshes: Wai Yeung Lam, Ulrich Pinkall --- Vertex normals and face curvatures of triangle meshes: Xiang Sun, Caigui Jiang, Johannes Wallner, and Helmut Pottmann --- S-conical cmc surfaces. Towards a unified theory of discrete surfaces with constant mean curvature: Alexander I. Bobenko and Tim Hoffmann --- Constructing solutions to the Björling problem for isothermic surfaces by structure preserving discretization: Ulrike Bücking and Daniel Matthes --- On the Lagrangian Structure of Integrable Hierarchies: Yuri B. Suris, Mats Vermeeren --- On the variational interpretation of the discrete KP equation: Raphael Boll, Matteo Petrera, and Yuri B. Suris --- Six topics on inscribable polytopes: Arnau Padrol and Günter M. Ziegler --- DGD Gallery: Storage, sharing, and publication of digital research data: Michael Joswig, Milan Mehner, Stefan Sechelmann, Jan Techter, and Alexander I. Bobenko
    Pages: Online-Ressource (X, 439 pages) , 114 illustrations, 67 illustrations in color
    ISBN: 9783662504475
    Language: English
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  • 2
    Unknown
    Berlin, Heidelberg : Springer
    Keywords: Mathematics ; Computer graphics ; Dynamics ; Ergodic theory ; Functions of complex variables ; Differential geometry ; Physics ; Mathematics ; Differential Geometry ; Functions of a Complex Variable ; Dynamical Systems and Ergodic Theory ; Computer Graphics ; Numerical and Computational Physics
    Description / Table of Contents: Discrete conformal maps: Boundary value problems, circle domains, Fuchsian and Schottky uniformization: Alexander I. Bobenko, Stefan Sechelmann, Boris Springborn --- Discrete complex analysis on planar quad-graphs: Alexander I. Bobenko and Felix Günther --- Approximation of conformal mappings using conformally equivalent triangular lattices: Ulrike Bücking --- Numerical Methods for the Discrete Map Za: Folkmar Bornemann, Alexander Its, Sheehan Olver, and Georg Wechslberger --- A variational principle for cyclic polygons with prescribed edge lengths: Hana Kourimská, Lara Skuppin, Boris Springborn --- Complex Line Bundles over Simplicial Complexes and their Applications: Felix Knöppel and Ulrich Pinkall --- Holomorphic vector fields and quadratic differentials on planar triangular meshes: Wai Yeung Lam, Ulrich Pinkall --- Vertex normals and face curvatures of triangle meshes: Xiang Sun, Caigui Jiang, Johannes Wallner, and Helmut Pottmann --- S-conical cmc surfaces. Towards a unified theory of discrete surfaces with constant mean curvature: Alexander I. Bobenko and Tim Hoffmann --- Constructing solutions to the Björling problem for isothermic surfaces by structure preserving discretization: Ulrike Bücking and Daniel Matthes --- On the Lagrangian Structure of Integrable Hierarchies: Yuri B. Suris, Mats Vermeeren --- On the variational interpretation of the discrete KP equation: Raphael Boll, Matteo Petrera, and Yuri B. Suris --- Six topics on inscribable polytopes: Arnau Padrol and Günter M. Ziegler --- DGD Gallery: Storage, sharing, and publication of digital research data: Michael Joswig, Milan Mehner, Stefan Sechelmann, Jan Techter, and Alexander I. Bobenko
    Pages: Online-Ressource (X, 439 pages) , 114 illustrations, 67 illustrations in color
    ISBN: 9783662504475
    Language: English
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  • 3
    Keywords: Physics ; Nuclear energy ; International relations ; Physics ; Applied and Technical Physics ; Societal Aspects of Physics, Outreach and Education ; Nuclear Energy ; International Relations
    Description / Table of Contents: This open access book examines key aspects of international cooperation to enhance nuclear safety, security, safeguards, and non-proliferation, thereby assisting in development and maintenance of the verification regime and fostering progress toward a nuclear weapon-free world. The book opens by addressing important political, institutional, and legal dimensions. Current challenges are discussed and attempts made to identify possible solutions and future improvements. Subsequent sections consider scientific developments that have the potential to increase the effectiveness of implementation of international regimes, particularly in critical areas, technology foresight, and the ongoing evaluation of current capabilities. The closing sections examine scientific and technical challenges and discuss the role of international cooperation and actions of the scientific community in leading the world toward peace and security. The book – which celebrates 60 years of IAEA Atoms for Peace and Development and the EURATOM Treaty – comprises contributions presented at the XX Edoardo Amaldi Conference, where eminent scientists, diplomats, and policymakers were able to compare national perspectives and update international collaborations
    Pages: Online-Ressource (XXXVI, 220 pages) , 16 illustrations in color
    ISBN: 9783662573662
    Language: English
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 97-101 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We provide an alternative to the biquadratic analytic scheme BIQ published earlier. This form, AMPLIN, is similar to the older linear analytic scheme, LIN. This scheme is much faster than BIQ.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 105-105 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 45-58 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The relations between isoscalar factors for corepresentations of antiunitary magnetic point groups are discussed in the case of associated corepresentations. The tables of the isoscalar factors for the single- and double-valued corepresentations of all tetragonal, orthorhombic, monoclinic, and triclinic Shubnikov point groups are given. Some peculiarities of the calculation method of the isoscalar factors for corepresentations are considered.
    Additional Material: 10 Tab.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 89-96 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The method of Dupuis and King for generating matrix elements of a totally symmetric one-electron operator in terms of symmetry-distinct integrals only is generalized to the case of nontotally symmetric operators. For operators constructed from two-electron integrals, explicit reduction of integral processing to permutationally inequivalent symmetry-distinct integrals only is described, while for one-electron operators further reductions are derived using double coset decompositions. Finally, some computational consequences of this approach are briefly discussed.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985) 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 145-157 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The orthogonalized direct diagonalization (ODD) method is used to predict the valence-shell ionization spectra for the series of hydrocarbons ethane (C2H6), ethylene (C2H4), and acetylene (C2H2) within an EOM/propagator formalism. Both (a) third-order and (b) higher-order (with h5 terms in the excitation operator manifold) calculations are presented in order to illustrate the effect of the extended operator manifold on the predicted valence-shell spectra. It is shown that the major effect of the h5 manifold is concentrated in its “occupied” part. Along with a general shifting of the main lines for outer valence ionizations to lower values (together with a slight reduction in pole strength), it is found that the effect of the h5 manifold in the inner valence region is dependent on the system being studied.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 181-194 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio SCF MO calculations at the STO-3G level have been carried out on CH2OHOPO3-H and CH2OHOPO32-, which have been considered as model systems for the Cl-phosphate moiety of sugars. The results predict higher anomeric energy for the phosphate moiety at Cl atom of pyranosides. Also a trans arrangement of the exocyclic O - P bond is preferred rather than a gauche arrangement, thus exhibiting a reverse exo-anomeric effect. A complete potential energy map has been constructed for CH3OPO3-H, a model system for C6-phosphate moiety. It is seen that the bond angle optimization brings down the relative energies of various conformations. The effect of the phosphate group on the preferred conformation of phosphate containing polysaccharides is also discussed.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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