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Computational and Mathematical Biophysics
Article
Article
De Gruyter; Poland · ISSN 2544-7297
Subjects / keywords: mathematical biophysics, computational biophysics, mathematical molecular bioscience, biomolecular simulations, biomolecular data deep leaning, rational drug discovery; Technology: Chemical technology: Biotechnology; Sci...
Idioma English
Acceso abiertoRuta libre sin proxy. Acceso recomendado cuando no hay suscripción activa.Disponible en 2 proveedores
Open Access
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Article
Article
Marcus D. Hanwell; Donald Curtis; David Lonie; Tim Vandermeersch; Eva Zurek; Geoffrey Hutchison · Journal of Cheminformatics · 2012
BACKGROUND: The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related are...
Idioma English
El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
Fractional Brownian Motions, Fractional Noises and Applications
Article
Article
Benoît B. Mandelbrot; John W. Van Ness · SIAM Review · 1968
Previous article Next article Fractional Brownian Motions, Fractional Noises and ApplicationsBenoit B. Mandelbrot and John W. Van NessBenoit B. Mandelbrot and John W. Van Nesshttps://doi.org/10.1137/1010093PDFBibTexSecti...
Idioma English
El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
High-precision sampling for Brillouin-zone integration in metals
Article
Article
M. Methfessel; A. T. Paxton · Physical review. B, Condensed matter · 1989
We present a sampling method for Brillouin-zone integration in metals which converges exponentially with the number of sampling points, without the loss of precision of normal broadening techniques. The scheme is based o...
Idioma English
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A profile refinement method for nuclear and magnetic structures
Article
Article
H. M. Rietveld · Journal of Applied Crystallography · 1969
A structure refinement method is described which does not use integrated neutron powder intensities, single or overlapping, but employs directly the profile intensities obtained from step-scanning measurements of the pow...
Idioma English
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Material complementario
An empirical correction for absorption anisotropy
Article
Article
R. H. Blessing · Acta Crystallographica Section A Foundations of Crystallography · 1995
A least-squares procedure is described for modeling an empirical transmission surface as sampled by multiple symmetry-equivalent and/or azimuth rotation-equivalent intensity measurements. The fitting functions are sums o...
Idioma English
El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
BoltzTraP. A code for calculating band-structure dependent quantities
Article
Article
Georg K. H. Madsen; David J. Singh · Computer Physics Communications · 2006
Subjects / keywords: Interpolation (computer graphics); Representation (politics); Code (set theory); Boltzmann constant; Statistical physics; Transport theory; Fourier transform; Boltzmann equation; Applied mathematics; Physics; Computation...
Idioma English
El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
Dispersion and Absorption in Dielectrics I. Alternating Current Characteristics
Article
Article
Kenneth S. Cole; Robert H. Cole · The Journal of Chemical Physics · 1941
The dispersion and absorption of a considerable number of liquid and dielectrics are represented by the empirical formula ε*−ε∞=(ε0−ε∞)/[1+(iωτ0)1−α]. In this equation, ε* is the complex dielectric cons...
Idioma English
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Página del recurso
EasySpin, a comprehensive software package for spectral simulation and analysis in EPR
Article
Article
Stefan Stoll; Arthur Schweiger · Journal of Magnetic Resonance · 2005
Subjects / keywords: Electron paramagnetic resonance; MATLAB; Computation; Software; Software package; Computational science; Toolbox; Spins; Computer science; Scope (computer science); Spin (aerodynamics); Computational physics
Idioma English
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Página del recurso
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
Article
Article
Joost VandeVondele; Matthias Krack; Fawzi Mohamed; Michele Parrinello; Thomas Chassaing; Jürg Hutter · Computer Physics Communications · 2005
Subjects / keywords: Gaussian; Statistical physics; Plane wave; Plane (geometry); Computational physics; Physics; Mathematics; Geometry; Quantum mechanics
Idioma English
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Recent advances in magnetic structure determination by neutron powder diffraction
Article
Article
J. Rodrı́guez-Carvajal · Physica B Condensed Matter · 1993
Subjects / keywords: Neutron diffraction; Magnetic structure; Diffraction; Neutron scattering; Powder diffraction; Materials science; Computational physics; Physics; Scattering; Nuclear magnetic resonance; Optics; Magnetic field
Idioma English
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Special points for Brillouin-zone integrations
Article
Article
Hendrik J. Monkhorst; J.D. Pack · Physical review. B, Solid state · 1976
A method is given for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector. The integration can be over the entire Brillouin zone ...
Idioma English
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Wireless Power Transfer via Strongly Coupled Magnetic Resonances
Article
Article
André Kurs; Aristeidis Karalis; Robert Moffatt; John D. Joannopoulos; Peter Fisher; Marin Soljačić · Science · 2007
Using self-resonant coils in a strongly coupled regime, we experimentally demonstrated efficient nonradiative power transfer over distances up to 8 times the radius of the coils. We were able to transfer 60 watts with ap...
Idioma English
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Annals of West University of Timisoara: Physics
Article
Article
Sciendo; Poland · ISSN 1224-9718
Subjects / keywords: medical physics, applied physics, materials science, theoretical physics, computational physics; Science: Physics
Idioma English
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Open Access
Iraqi Journal of Physics
Article
Article
University of Baghdad; Iraq · ISSN 2070-4003
Subjects / keywords: nanotechnology, remote sensing, computational physics, medical physics, solid state physics; Science: Physics
Idioma English
Acceso abiertoRuta libre sin proxy. Acceso recomendado cuando no hay suscripción activa.
Open Access
Mathematics and Computational Sciences
Article
Article
Qom University of Technology; Iran, Islamic Republic of · ISSN 2717-2708
Subjects / keywords: mathematics, applied mathematics, computational mathematics, computational physics, mathematical sciences; Science: Mathematics
Idioma English
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Open Access
SciPost Physics Codebases
Article
Article
SciPost; Netherlands · ISSN 2949-804X
Subjects / keywords: physics, software, numerics, algorithms, codebases, computational physics; Science: Physics
Idioma English
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Open Access
Gravity: Jurnal Ilmiah Penelitian dan Pembelajaran Fisika
Article
Article
Universitas Sultan Ageng Tirtayasa; Indonesia · ISSN 2442-515X
Subjects / keywords: physics, gravity, education, theoretical physics, computational physics; Education: Special aspects of education; Science: Astronomy: Astrophysics; Science: Physics
Idioma English
Acceso abiertoRuta libre sin proxy. Acceso recomendado cuando no hay suscripción activa.Disponible en 2 proveedores
Open Access
Inovasi Fisika Indonesia
Article
Article
Universitas Negeri Surabaya; Indonesia · ISSN 2302-4216
Subjects / keywords: physics, instrumentation, materials science, geophysics, computational physics, optics; Science: Physics
Idioma Indonesian
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Open Access
Spektra: Jurnal Fisika dan Aplikasinya
Article
Article
Universitas Negeri Jakarta; Indonesia · ISSN 2541-3384
Subjects / keywords: instrumentation and computational physics, material physics, theoretical physics, applied physics; Science: Astronomy: Astrophysics; Science: Physics; Technology: Mechanical engineering and machinery: Renewable energy so...
Idioma English, Indonesian
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Open Access
<i>Computational Methods for Fluid Dynamics</i>
Article
Article
Joel H. Ferziger; Milovan Perić; Anthony Leonard · Physics Today · 1997
Preface. Basic Concepts of Fluid Flow.- Introduction to Numerical Methods.- Finite Difference Methods.- Finite Volume Methods.- Solution of Linear Equation Systems.- Methods for Unsteady Problems.- Solution of the Navier...
Idioma English
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
Article
Article
Christopher A. Lipinski; Franco Lombardo; Beryl W. Dominy; Paul J. Feeney · Advanced Drug Delivery Reviews · 1997
Subjects / keywords: Solubility; Drug discovery; Chemistry; Thermodynamics; Permeability (electromagnetism); Hildebrand solubility parameter; Permeation; Work (physics); Computational chemistry; Organic chemistry; Physics; Membrane
Idioma English
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Página del recurso
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
Text / resource
Text / resource
Christopher A. Lipinski; Franco Lombardo; Beryl W. Dominy; Paul J. Feeney · Advanced Drug Delivery Reviews · 2001
Subjects / keywords: Solubility; Drug discovery; Thermodynamics; Chemistry; Permeability (electromagnetism); Computational chemistry; Physics; Organic chemistry; Membrane; Biochemistry
Idioma English
Página del recurso disponiblePágina de referencia del recurso. El texto completo no está confirmado automáticamente.
Página del recurso
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Article
Article
Steven J. Plimpton · Journal of Computational Physics · 1995
Subjects / keywords: Parallel computing; Computer science; Benchmark (surveying); Parallel algorithm; Intel iPSC; Algorithm; Range (aeronautics); Molecular dynamics; Supercomputer; Node (physics); Computational science; Physics
Idioma English
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