Molecular modeling basics / Jan H. Jensen.

By:

Jensen, Jan H

Contributor(s):

Jensen, Jan H

Material type: Text

TextPublication details: Boca Raton, Fla. : CRC ; London : Taylor & Francis [distributor], 2009.Description: 200 p. : ill. ; 24 cmISBN:

9781420075267 (pbk.) :
9781420075267

Subject(s):

DDC classification:

541 .220113 JEN

LOC classification:

QP517.M3

Contents:

1.The potential energy surface -- 2.Calculating the energy -- 3.Molecular properties and the condensed phase -- 4.Illustrating the concepts -- 5.The details of the calculations.

Summary: Addressing the need for a 'workshop-oriented' book, 'Molecular Modeling Basics' provides the fundamental theoretical facts needed to understand what molecular modeling programs do and the gist of research papers that describe molecular modeling results.

Holdings ( 2 )
Title notes ( 3 )

Holdings
Item type	Current library	Call number	Copy number	Status	Date due	Barcode
Long Loan	TUS: Midlands, Main Library Athlone General Lending	541 .220113 JEN (Browse shelf(Opens below))	1	Available		222902
Long Loan	TUS: Midlands, Main Library Athlone General Lending	541 .220113 JEN (Browse shelf(Opens below))	1	Available		222901

Includes index.

1.The potential energy surface -- 2.Calculating the energy -- 3.Molecular properties and the condensed phase -- 4.Illustrating the concepts -- 5.The details of the calculations.

Addressing the need for a 'workshop-oriented' book, 'Molecular Modeling Basics' provides the fundamental theoretical facts needed to understand what molecular modeling programs do and the gist of research papers that describe molecular modeling results.