Computational chemistry / Jeremy Harvey.

By:

Harvey, Jeremy [author.]

Material type: Text

TextSeries: Oxford chemistry primersPublisher: Oxford, United Kingdom : Oxford University Press, [2018]Copyright date: 2018Description: ix, 139 pages, 1 unnumbered page : illustrations ; 25 cmContent type:

text

Media type:

unmediated

Carrier type:

volume

ISBN:

9780198755500
0198755503

Subject(s):

DDC classification:

542.85 H.J.C 23

LOC classification:

QD39.3.E46 H37 2018

Contents:

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

Summary: 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.

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Holdings
Item type	Current library	Collection	Call number	Copy number	Status	Date due	Barcode
Books	Main library A9	Pharmacy ( Pharmaceutical chemistry )	542.85 H.J.C (Browse shelf(Opens below))	1	Available		00015264

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.

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