Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics / Errol G. Lewars.
Tipo de material:
- 9789048138616 (softcover : acidfree paper)
- Chemistry, Physical and theoretical
- Chemistry, Physical and theoretical
- Chemistry, Physical and theoretical
- Chemistry
- Quantum chemistry
- Molecular structure
- Computational chemistry
- Datenverarbeitung
- Dichtefunktionalformalismus
- Quantenchemie
- Quantenmechanik
- Theoretische Chemie
- Computational chemistry
- Datenverarbeitung
- Dichtefunktionalformalismus
- Quantenchemie
- Quantenmechanik
- Theoretische Chemie
- 540 L669
Contenidos:
An outline of what computational chemistry is all about -- The concept of the potential energy surface -- Molecular mechanics -- Introduction to quantum mechanics in computational chemistry -- Ab initio calculations -- Semiempirical calculations -- Density functional calculations -- Some "special" topics: solvation, singlet diradicals, a note on heavy atoms and transition metals -- Selected literature highlights, books, websites, software and hardware.
Tipo de ítem | Biblioteca actual | Signatura topográfica | Copia número | Estado | Código de barras | |
---|---|---|---|---|---|---|
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Biblioteca Universidad Regional Amazónica Ikiam | 540 L669 (Navegar estantería(Abre debajo)) | Ej.1/2 | Disponible | 003495 | |
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Biblioteca Universidad Regional Amazónica Ikiam | 540 L669 (Navegar estantería(Abre debajo)) | Ej.2/2 | Disponible | 003496 |
An outline of what computational chemistry is all about -- The concept of the potential energy surface -- Molecular mechanics -- Introduction to quantum mechanics in computational chemistry -- Ab initio calculations -- Semiempirical calculations -- Density functional calculations -- Some "special" topics: solvation, singlet diradicals, a note on heavy atoms and transition metals -- Selected literature highlights, books, websites, software and hardware.
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