Computational chemistry /

Harvey, Jeremy,

Computational chemistry / Jeremy Harvey. - Oxford, United Kingdom : Oxford University Press, c2018. - 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.

9780198755500 0198755503

2017954085


Chemistry--Data processing.
Chemistry--Mathematics.
Chemistry--Computer simulation.
Chemistry--Statistical methods.

QD 39.3.E46 / .H262 2018