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Computational chemistry /

Harvey, Jeremy,

Computational chemistry / Jeremy Harvey. - ix, 139 pages, 1 unnumbered page : illustrations ; 25 cm. - Oxford chemistry primers . - Oxford chemistry primers. .

Includes index.

Computation and Computers in Chemistry --
Quantum Chemistry --
Quantum Chemical Methods --
Molecular Mechanics Methods --
Geometry Optimization --
Dynamics Methods --
Rate Constants and Equilibria --
Hybrid and Multi-Scale Methods --
Conclusions

The powerful and versatile applications of computational chemistry are covered succinctly and clearly in this primer, making it an ideal introduction for those new to the field.



9780198755500 0198755503

2017954085


Chemistry--Data processing.
Chemistry--Data processing.
Computational chemistry

QD39.3.E46 / H37 2018

542.85 / H.J.C