Computational Chemistry and Molecular Modeling Principles and Applications /

The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Ramachandran, K. I. (Autor), Deepa, Gopakumar (Autor), Namboori, Krishnan (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2008.
Edición:1st ed. 2008.
Temas:
Chemistry, Physical and theoretical.
Chemistry-Data processing.
Chemometrics.
Physical chemistry.
Theoretical Chemistry.
Computational Chemistry.
Mathematical Applications in Chemistry.
Physical Chemistry.
Acceso en línea:Texto Completo

MARC

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100 1 |a Ramachandran, K. I.  |e author.  |4 aut  |4 http://id.loc.gov/vocabulary/relators/aut 
245 1 0 |a Computational Chemistry and Molecular Modeling  |h [electronic resource] :  |b Principles and Applications /  |c by K. I. Ramachandran, Gopakumar Deepa, Krishnan Namboori. 
250 |a 1st ed. 2008. 
264 1 |a Berlin, Heidelberg :  |b Springer Berlin Heidelberg :  |b Imprint: Springer,  |c 2008. 
300 |a XXII, 398 p. 111 illus., 21 illus. in color.  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
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505 0 |a Symmetry and Point Groups -- Quantum Mechanics: A Brief Introduction -- Hückel Molecular Orbital Theory -- Hartree-Fock Theory -- Basis Sets -- Semiempirical Methods -- The Ab Initio Method -- Density Functional Theory -- Reduced Density Matrix -- Molecular Mechanics -- The Modeling of Molecules Through Computational Methods -- High Performance Computing -- Research in Computational Chemistry and Molecular Modeling -- Basic Mathematics for Computational Chemistry. 
520 |a The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers. 
650 0 |a Chemistry, Physical and theoretical. 
650 0 |a Chemistry-Data processing. 
650 0 |a Chemometrics. 
650 0 |a Physical chemistry. 
650 1 4 |a Theoretical Chemistry. 
650 2 4 |a Computational Chemistry. 
650 2 4 |a Mathematical Applications in Chemistry. 
650 2 4 |a Physical Chemistry. 
700 1 |a Deepa, Gopakumar.  |e author.  |4 aut  |4 http://id.loc.gov/vocabulary/relators/aut 
700 1 |a Namboori, Krishnan.  |e author.  |4 aut  |4 http://id.loc.gov/vocabulary/relators/aut 
710 2 |a SpringerLink (Online service) 
773 0 |t Springer Nature eBook 
776 0 8 |i Printed edition:  |z 9783540848752 
776 0 8 |i Printed edition:  |z 9783642095986 
776 0 8 |i Printed edition:  |z 9783540773023 
856 4 0 |u https://doi.uam.elogim.com/10.1007/978-3-540-77304-7  |z Texto Completo 
912 |a ZDB-2-CMS 
912 |a ZDB-2-SXC 
950 |a Chemistry and Materials Science (SpringerNature-11644) 
950 |a Chemistry and Material Science (R0) (SpringerNature-43709) 

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