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Molecular modelling introduction

Compilation of microwave and electron diffraction data and references Assistance to trace back references on all experimental methods Expert assistance at the evaluation of electron diffraction data Drawing of ball-stick molecular models Introduction (1.6.6)... [Pg.1025]

Molecular modeling - Introduction Quantum mechanics - Introduction Ab initio - Theory I... [Pg.2963]

Smith, W. B., 1996. Introduction to Theoretical Organic Chemistry and Molecular Modeling. VCH, New York. [Pg.337]

We contend therefore that introduction of molecular modeling very early into the currieulum need not complicate or eonfuse the learning of organie chemistry, but rather assist the student in visualizing the structures of organic molecules and in learning the intimate connections between molecular structure and molecular properties. [Pg.314]

For new or would-be users of models, I present in Chapter 11 an introduction to molecular modeling, demonstrating how modern graphics programs allow users to display and manipulate models and to perform powerful structure analysis, even on desktop computers. This chapter also provides information on how to use the World Wide Web to obtain graphics programs and learn how to use them. It also provides an introduction to the Protein Data Bank (PDB), a World Wide Web resource from which you can obtain most of the available macromolecular models. [Pg.4]

Brief introductions to the MP treatment of atoms and molecules Levine IN (2000) Quantum chemistry, 5th edn. Prentice Hall, Engelwood Cliffs, NJ, pp 563-568 Lowe JP (1993) Quantum chemistry, 2nd edn. Academic Press, New York, pp 369-370 Leach AR (2001) Molecular modelling, 2nd edn. Prentice Hall, Essex, England, pp 114-117... [Pg.378]


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See also in sourсe #XX -- [ Pg.95 ]

See also in sourсe #XX -- [ Pg.823 ]




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