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Computational Chemistry, including: Hamiltonian (quantum Mechanics), Molecular Orbital, Energy Level, Perturbation Theory, Molecular Dynamics, Density ... Partial Charge, Slater-type Orbital, Casp
Hephaestus Books
Paperback. Hephaestus Books 2011-08-29.
ISBN 9781242972140
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Förlagets beskrivning
Hephaestus Books represents a new publishing paradigm, allowing disparate content sources to be curated into cohesive, relevant, and informative books. To date, this content has been curated from Wikipedia articles and images under Creative Commons licensing, although as Hephaestus Books continues to increase in scope and dimension, more licensed and public domain content is being added. We believe books such as this represent a new and exciting lexicon in the sharing of human knowledge. This particular book is a collaboration focused on Computational chemistry.
More info: Computational chemistry is a branch of chemistry that uses principles of computer science 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. Its necessity arises from the well-known fact that apart from relatively recent results concerning the Hydrogen molecular ion (see references therein for more details), the quantum n-body problem cannot be solved analytically, much less in closed form. 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
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Computational Chemistry, including: Hamiltonian
Bokrecensioner » Computational Chemistry, including: Hamiltonian (quantum Mechanics), Molecular Orbital, Energy Level, Perturbation Theory, Molecular Dynamics, Density ... Partial Charge, Slater-type Orbital, Casp
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