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Computational Quantum Chemistry : an Interactive Introduction to Basis Set Theory.
This textbook is an interactive learning tool in which the power of EXCEL spreadsheet technology is applied to make plain the fundamentals of basis set theory in atomic and molecular orbital calculations. Spreadsheet calculations are provided on the accompanying CD-ROM.
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Burlington :
Elsevier,
2002.
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
| LEADER | 00000cam a2200000Mi 4500 | ||
|---|---|---|---|
| 001 | EBOOKCENTRAL_ocn476056416 | ||
| 003 | OCoLC | ||
| 005 | 20240329122006.0 | ||
| 006 | m o d | ||
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| 008 | 091207s2002 vtu o 000 0 eng d | ||
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| 019 | |a 1058067070 | ||
| 020 | |a 9780080488530 |q (electronic bk.) | ||
| 020 | |a 0080488536 |q (electronic bk.) | ||
| 029 | 1 | |a AU@ |b 000051553981 | |
| 029 | 1 | |a DEBBG |b BV044124133 | |
| 035 | |a (OCoLC)476056416 |z (OCoLC)1058067070 | ||
| 050 | 4 | |a QD462.6.D38 Q35 2002 |a QD462.6.D38Q35 2002 | |
| 082 | 0 | 4 | |a 541.2/8/0285 21 |a 541.280285 |
| 049 | |a UAMI | ||
| 100 | 1 | |a Quinn, Martin. | |
| 245 | 1 | 0 | |a Computational Quantum Chemistry : |b an Interactive Introduction to Basis Set Theory. |
| 260 | |a Burlington : |b Elsevier, |c 2002. | ||
| 300 | |a 1 online resource (246 pages) | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 520 | |a This textbook is an interactive learning tool in which the power of EXCEL spreadsheet technology is applied to make plain the fundamentals of basis set theory in atomic and molecular orbital calculations. Spreadsheet calculations are provided on the accompanying CD-ROM. | ||
| 505 | 0 | |a Front Cover; Computational Quantum Chemistry; Copyright Page; Contents; Preface; Chapter 1. Essential atomic orbital theory; Chapter 2. Numerical integration; Chapter 3. Orthonormality; Chapter 4. The hydrogen atom -- numerical solutions; Chapter 5. The helium atom and the self-consistent field; Chapter 6. One- and two-electron diatoms; References; Index. | |
| 588 | 0 | |a Print version record. | |
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
| 650 | 0 | |a Quantum chemistry |x Data processing. | |
| 650 | 0 | |a Gaussian basis sets (Quantum mechanics) | |
| 650 | 6 | |a Chimie quantique |x Informatique. | |
| 650 | 6 | |a Ensembles de bases de Gauss (Mécanique quantique) | |
| 650 | 7 | |a Gaussian basis sets (Quantum mechanics) |2 fast | |
| 650 | 7 | |a Quantum chemistry |x Data processing |2 fast | |
| 776 | 1 | |z 9780125696821 | |
| 856 | 4 | 0 | |u https://ebookcentral.uam.elogim.com/lib/uam-ebooks/detail.action?docID=294044 |z Texto completo |
| 938 | |a EBL - Ebook Library |b EBLB |n EBL294044 | ||
| 994 | |a 92 |b IZTAP | ||