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Matches in DBpedia 2015-10 for { <http://dbpedia.org/resource/Energy_minimization> ?p ?o }

• Energy_minimization abstract "In the field of computational chemistry, energy minimization (also called energy optimization, geometry minimization, or geometry optimization) is the process of finding an arrangement in space of a collection of atoms where, according to some computational model of chemical bonding, the net inter-atomic force on each atom is acceptably close to zero and the position on the potential energy surface (PES) is a stationary point (described later). The collection of atoms might be a single molecule, an ion, a condensed phase, a transition state or even a collection of any of these. The computational model of chemical bonding might, for example, be quantum mechanics.As an example, when optimizing the geometry of a water molecule, one aims to obtain the hydrogen-oxygen bond lengths and the hydrogen-oxygen-hydrogen bond angle which minimize the forces that would otherwise be pulling atoms together or pushing them apart.The motivation for performing a geometry optimization is the physical significance of the obtained structure: optimized structures often correspond to a substance as it is found in nature and the geometry of such a structure can be used in a variety of experimental and theoretical investigations in the fields of chemical structure, thermodynamics, chemical kinetics, spectroscopy and others.Typically, but not always, the process seeks to find the geometry of a particular arrangement of the atoms that represents a local or global energy minimum. Instead of searching for global energy minimum, it might be desirable to optimize to a transition state, that is, a saddle point on the potential energy surface. Additionally, certain coordinates (such as a chemical bond length) might be fixed during the optimization.".
• Energy_minimization wikiPageExternalLink RevModPhys.64.1045.
• Energy_minimization wikiPageExternalLink bookfpdf.php.
• Energy_minimization wikiPageID "12335752".
• Energy_minimization wikiPageLength "20964".
• Energy_minimization wikiPageOutDegree "42".
• Energy_minimization wikiPageRevisionID "663496094".
• Energy_minimization wikiPageWikiLink Ansatz.
• Energy_minimization wikiPageWikiLink Brownian_motion.
• Energy_minimization wikiPageWikiLink Category:Computational_chemistry.
• Energy_minimization wikiPageWikiLink Category:Mathematical_optimization.
• Energy_minimization wikiPageWikiLink Category:Operations_research.
• Energy_minimization wikiPageWikiLink Chemical_kinetics.
• Energy_minimization wikiPageWikiLink Chemical_structure.
• Energy_minimization wikiPageWikiLink Computational_chemistry.
• Energy_minimization wikiPageWikiLink Computer_vision.
• Energy_minimization wikiPageWikiLink Condensed_matter_physics.
• Energy_minimization wikiPageWikiLink Condensed_phase.
• Energy_minimization wikiPageWikiLink Degrees_of_freedom_(physics_and_chemistry).
• Energy_minimization wikiPageWikiLink Density_functional_theory.
• Energy_minimization wikiPageWikiLink Eigen_values.
• Energy_minimization wikiPageWikiLink Eigenvalues_and_eigenvectors.
• Energy_minimization wikiPageWikiLink Energy_principles_in_structural_mechanics.
• Energy_minimization wikiPageWikiLink Force_field_(chemistry).
• Energy_minimization wikiPageWikiLink Graph_cuts_in_computer_vision.
• Energy_minimization wikiPageWikiLink Hessian_matrix.
• Energy_minimization wikiPageWikiLink Ion.
• Energy_minimization wikiPageWikiLink Lanczos_algorithm.
• Energy_minimization wikiPageWikiLink Local_minimum.
• Energy_minimization wikiPageWikiLink Mathematical_optimization.
• Energy_minimization wikiPageWikiLink Maxima_and_minima.
• Energy_minimization wikiPageWikiLink Molecular_dynamics.
• Energy_minimization wikiPageWikiLink Molecule.
• Energy_minimization wikiPageWikiLink Newtons_laws_of_motion.
• Energy_minimization wikiPageWikiLink Optimization_(mathematics).
• Energy_minimization wikiPageWikiLink Positive-definite_matrix.
• Energy_minimization wikiPageWikiLink Potential_energy_surface.
• Energy_minimization wikiPageWikiLink Properties_of_water.
• Energy_minimization wikiPageWikiLink MM.
• Energy_minimization wikiPageWikiLink Quantum_chemistry.
• Energy_minimization wikiPageWikiLink Quasi-Newton_method.
• Energy_minimization wikiPageWikiLink Saddle_point.
• Energy_minimization wikiPageWikiLink Saddle_points.
• Energy_minimization wikiPageWikiLink Semi-empirical_quantum_chemistry_method.
• Energy_minimization wikiPageWikiLink Spectroscopy.
• Energy_minimization wikiPageWikiLink Thermodynamics.
• Energy_minimization wikiPageWikiLink Transition_state.
• Energy_minimization wikiPageWikiLink Vector_projection.
• Energy_minimization wikiPageWikiLink Water_(molecule).
• Energy_minimization wikiPageWikiLink File:Electric_deflection_CNT.JPG.
• Energy_minimization wikiPageWikiLinkText "Energy minimization".
• Energy_minimization wikiPageWikiLinkText "Nudged Elastic Band".
• Energy_minimization wikiPageWikiLinkText "energy minimization".
• Energy_minimization wikiPageWikiLinkText "finding the global minimum".
• Energy_minimization hasPhotoCollection Energy_minimization.
• Energy_minimization wikiPageUsesTemplate Template:For.
• Energy_minimization wikiPageUsesTemplate Template:Math.
• Energy_minimization wikiPageUsesTemplate Template:Reflist.
• Energy_minimization subject Category:Computational_chemistry.
• Energy_minimization subject Category:Mathematical_optimization.
• Energy_minimization subject Category:Operations_research.
• Energy_minimization hypernym Process.
• Energy_minimization type Area.
• Energy_minimization type Election.
• Energy_minimization type Area.
• Energy_minimization type Discipline.
• Energy_minimization type Field.
• Energy_minimization comment "In the field of computational chemistry, energy minimization (also called energy optimization, geometry minimization, or geometry optimization) is the process of finding an arrangement in space of a collection of atoms where, according to some computational model of chemical bonding, the net inter-atomic force on each atom is acceptably close to zero and the position on the potential energy surface (PES) is a stationary point (described later).".
• Energy_minimization label "Energy minimization".
• Energy_minimization sameAs m.03x_kx3.
• Energy_minimization sameAs Оптимізація_геометрії.
• Energy_minimization sameAs Q5377176.
• Energy_minimization sameAs Q5377176.
• Energy_minimization wasDerivedFrom Energy_minimization?oldid=663496094.
• Energy_minimization isPrimaryTopicOf Energy_minimization.