Articles liés à Computational Chemistry
Synopsis
Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. Computational chemistry is a branch of chemistry that uses computers to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. While its results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e. the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge distributions, dipoles and higher multipole moments, vibrational frequencies, reactivity or other spectroscopic quantities, and cross sections for collision with other particles.
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Computational Chemistry
Edité par
Alphascript Publishing Nov 2009, 2009
ISBN 10 : 6130206658
ISBN 13 : 9786130206659
Neuf
Taschenbuch
Vendeur : BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Allemagne
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Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Computational chemistry is a branch of chemistry that uses computers to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. While its results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e. the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge distributions, dipoles and higher multipole moments, vibrational frequencies, reactivity or other spectroscopic quantities, and cross sections for collision with other particles. Englisch. N° de réf. du vendeur 9786130206659
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Computational Chemistry | Theoretical chemistry, Computer program, Multipole moments, Molecular vibration, Ab initio quantum chemistry methods, Periodic boundary conditions, Cheminformatics
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Taschenbuch. Etat : Neu. Computational Chemistry | Theoretical chemistry, Computer program, Multipole moments, Molecular vibration, Ab initio quantum chemistry methods, Periodic boundary conditions, Cheminformatics | Frederic P. Miller (u. a.) | Taschenbuch | Englisch | 2026 | OmniScriptum | EAN 9786130206659 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu Print on Demand. N° de réf. du vendeur 134831908
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