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|a 9789048138616 (softcover : acidfree paper)
|c Euro 69.95
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1 |
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|a Lewars, Errol.
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| 245 |
1 |
0 |
|a Computational chemistry :
|b introduction to the theory and applications of molecular and quantum mechanics /
|c Errol G. Lewars.
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| 250 |
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|a 2nd ed.
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| 260 |
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|a Dordrecht [Netherlands] ;
|a London ;
|a New York :
|b Springer,
|c c2011.
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| 300 |
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|a xvi, 664 p. :
|b ill. (some col.) ;
|c 24 cm.
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| 504 |
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|a Includes bibliographical references and index.
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| 505 |
0 |
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|a 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.
|
| 650 |
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0 |
|a Chemistry, Physical and theoretical
|x Mathematics.
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| 650 |
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0 |
|a Chemistry, Physical and theoretical
|x Mathematics
|v Problems, exercises, etc.
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| 650 |
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0 |
|a Chemistry, Physical and theoretical
|x Computer simulation.
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| 650 |
|
0 |
|a Chemistry
|x Data processing.
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| 650 |
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0 |
|a Quantum chemistry
|x Computer simulation.
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| 650 |
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0 |
|a Molecular structure
|x Computer simulation.
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| 650 |
0 |
7 |
|a Computational chemistry.
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| 650 |
0 |
7 |
|a Computational chemistry.
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