Information theory of molecular systems:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Amsterdam
Elsevier
2006
|
| Ausgabe: | 1st ed |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity. Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT) Outlines main ideas and techniques of Information Theory Includes bibliographical references (pages 421-433) and index |
| Beschreibung: | 1 Online-Ressource (xviii, 443 pages) |
| ISBN: | 9780444519665 0444519661 0080459749 9780080459745 |
Internformat
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| 500 | |a As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity. Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT) Outlines main ideas and techniques of Information Theory | ||
| 500 | |a Includes bibliographical references (pages 421-433) and index | ||
| 650 | 7 | |a SCIENCE / Chemistry / Physical & Theoretical |2 bisacsh | |
| 650 | 7 | |a Information theory in chemistry |2 fast | |
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Datensatz im Suchindex
| _version_ | 1804152906276929536 |
|---|---|
| any_adam_object | |
| author | Nalewajski, Roman F. 1947- |
| author_GND | (DE-588)1022961780 |
| author_facet | Nalewajski, Roman F. 1947- |
| author_role | aut |
| author_sort | Nalewajski, Roman F. 1947- |
| author_variant | r f n rf rfn |
| building | Verbundindex |
| bvnumber | BV042313794 |
| collection | ZDB-33-ESD ZDB-33-EBS |
| ctrlnum | (OCoLC)162130338 (DE-599)BVBBV042313794 |
| dewey-full | 541/.22 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541/.22 |
| dewey-search | 541/.22 |
| dewey-sort | 3541 222 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| edition | 1st ed |
| format | Electronic eBook |
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| id | DE-604.BV042313794 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T01:18:09Z |
| institution | BVB |
| isbn | 9780444519665 0444519661 0080459749 9780080459745 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-027750784 |
| oclc_num | 162130338 |
| open_access_boolean | |
| owner | DE-1046 |
| owner_facet | DE-1046 |
| physical | 1 Online-Ressource (xviii, 443 pages) |
| psigel | ZDB-33-ESD ZDB-33-EBS FAW_PDA_ESD FLA_PDA_ESD |
| publishDate | 2006 |
| publishDateSearch | 2006 |
| publishDateSort | 2006 |
| publisher | Elsevier |
| record_format | marc |
| spelling | Nalewajski, Roman F. 1947- Verfasser (DE-588)1022961780 aut Information theory of molecular systems Roman F. Nalewajski 1st ed Amsterdam Elsevier 2006 1 Online-Ressource (xviii, 443 pages) txt rdacontent c rdamedia cr rdacarrier As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity. Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT) Outlines main ideas and techniques of Information Theory Includes bibliographical references (pages 421-433) and index SCIENCE / Chemistry / Physical & Theoretical bisacsh Information theory in chemistry fast Molecular structure fast Chemie Molecular structure Information theory in chemistry http://www.sciencedirect.com/science/book/9780444519665 Verlag Volltext |
| spellingShingle | Nalewajski, Roman F. 1947- Information theory of molecular systems SCIENCE / Chemistry / Physical & Theoretical bisacsh Information theory in chemistry fast Molecular structure fast Chemie Molecular structure Information theory in chemistry |
| title | Information theory of molecular systems |
| title_auth | Information theory of molecular systems |
| title_exact_search | Information theory of molecular systems |
| title_full | Information theory of molecular systems Roman F. Nalewajski |
| title_fullStr | Information theory of molecular systems Roman F. Nalewajski |
| title_full_unstemmed | Information theory of molecular systems Roman F. Nalewajski |
| title_short | Information theory of molecular systems |
| title_sort | information theory of molecular systems |
| topic | SCIENCE / Chemistry / Physical & Theoretical bisacsh Information theory in chemistry fast Molecular structure fast Chemie Molecular structure Information theory in chemistry |
| topic_facet | SCIENCE / Chemistry / Physical & Theoretical Information theory in chemistry Molecular structure Chemie |
| url | http://www.sciencedirect.com/science/book/9780444519665 |
| work_keys_str_mv | AT nalewajskiromanf informationtheoryofmolecularsystems |