Exploring Chemical Concepts Through Theory and Computation (inbunden, eng)
Exploring Chemical Concepts Through Theory and Computation (inbunden, eng)
Gästpris:
Ditt medlemspris:
1 294 kr
1 494 kr
Kampanjpris! (-7%)
Kampanjpris! (-20%)
- Inköpspriser för medlemmar (Logga in)
- Frakt från 0 kr
- 14 dagars öppet köp
Frågor? Starta chatt
Deep, theoretical resource on the essence of chemistry, explaining a variety of important concepts including redox states and bond types Exploring Chemical Concepts Through Theory and Computation provides a comprehensive account of how the three widely used theoretical frameworks of valence bond theory, molecular orbital theory, and density functional theory, along with a variety of important chemical concepts, can between them describe and efficiently and reliably predict key chemical parameters and phenomena.
By comparing the three main theoretical frameworks, readers will become competent in choosing the right modeling approach for their task. The authors go beyond a simple comparison of existing algorithms to show how data-driven theories can explain why chemical compounds behave the way they do, thus promoting a deeper understanding of the essence of chemistry.
The text is contributed to by top theoretical and computational chemists who have turned computational chemistry into today’s data-driven and application-oriented science. Exploring Chemical Concepts Through Theory and Computation discusses topics including: Orbital-based approaches, density-based approaches, chemical bonding, partial charges, atoms in molecules, oxidation states, aromaticity and antiaromaticity, and acidity and basicityElectronegativity, hardness, softness, HSAB, sigma-hole interactions, charge transport and energy transfer, and homogeneous and heterogeneous catalysisElectrophilicity, nucleophilicity, cooperativity, frustration, homochirality, and energy decompositionChemical concepts in solids, excited states, spectroscopy and machine learning, and catalysis and machine learning, as well as key connections between related concepts Aimed at both novice and experienced computational, theoretical, and physical chemists, Exploring Chemical Concepts Through Theory and Computation is an essential reference to gain a deeper, more advanced holistic understanding of the field of chemistry as a whole.
By comparing the three main theoretical frameworks, readers will become competent in choosing the right modeling approach for their task. The authors go beyond a simple comparison of existing algorithms to show how data-driven theories can explain why chemical compounds behave the way they do, thus promoting a deeper understanding of the essence of chemistry.
The text is contributed to by top theoretical and computational chemists who have turned computational chemistry into today’s data-driven and application-oriented science. Exploring Chemical Concepts Through Theory and Computation discusses topics including: Orbital-based approaches, density-based approaches, chemical bonding, partial charges, atoms in molecules, oxidation states, aromaticity and antiaromaticity, and acidity and basicityElectronegativity, hardness, softness, HSAB, sigma-hole interactions, charge transport and energy transfer, and homogeneous and heterogeneous catalysisElectrophilicity, nucleophilicity, cooperativity, frustration, homochirality, and energy decompositionChemical concepts in solids, excited states, spectroscopy and machine learning, and catalysis and machine learning, as well as key connections between related concepts Aimed at both novice and experienced computational, theoretical, and physical chemists, Exploring Chemical Concepts Through Theory and Computation is an essential reference to gain a deeper, more advanced holistic understanding of the field of chemistry as a whole.
| Format | Inbunden |
| Omfång | 592 sidor |
| Språk | Engelska |
| Förlag | Wiley-VCH Verlag GmbH |
| Utgivningsdatum | 2024-06-12 |
| ISBN | 9783527352487 |
Artikelnummer
3637279
EAN
9783527352487
Leverans:
Denna produkt skickas från oss inom 6 - 7 vardagar. I kassan väljer du om du vill få leverans med Budbee, Airmee, Best Transport, Early Bird, Postnord eller DB Schenker. Vissa speditörer har vikt- eller storleksbegränsningar och kan av den anledningen saknas som alternativ i kassan om du handlar många eller väldigt stora produkter.Fri retur:
För medlemmar gäller fri retur och 14 dagars full returrätt från den dagen du tar emot din leverans. För övriga kostar retur från 49 kr.Undantag för retur- och ångerrätt:
Dessa är exempel på varor som inte omfattas av retur- eller ångerrätt. Observera att det kan finnas andra undantag som inte listas här.- Använda, skadade och/eller inkompletta produkter
- Dagligvaror (livsmedel, läkemedel, nikotinprodukter)
- Hygienartiklar & kroppsnära produkter (rakapparater, in ear-hörlurar, aktivitetsklockor)
- Intimprodukter (menskoppar, kondomer och glidmedel)
- Kosmetikprodukter (inkl. hår- och hudvårdsprodukter, parfymer, etc.)
- Underkläder (inkl. badkläder, underställ och strumpor)
- Ljud- & bildupptagningar, spel/program (om förseglingen brutits eller licensnyckeln erhållits.)
- Teknikprodukter om försegling brutits eller programvara har installerats (mobiltelefoner, surfplattor, laptops, etc.)
- Gratisprodukter
Om du är osäker på om en produkt omfattas av ångerrätt kan du alltid kontakta vår kundtjänst på info@buyersclub.se, så hjälper vi dig gärna!
Leveranser:
