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The Chemical Educator

ISSN: 1430-4171 (electronic version)

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Abstract Volume 14 Issue 4 (2008) pp 158-163

Chemistry in a NanoDrop

Caley Allen, Khaleh Thomas, and Thomas Manning*

Department of Chemistry, Valdosta State University, Valdosta, GA 31698,
Received March 4, 2008. Accepted July 1, 2009

Published online: 29 December 2009

Abstract. Molecular modeling software is used to show students the interaction between solvents and chemical species. The exercises start by calculating parameters (i.e. bond distances, angles, dipole moments) involving hydrogen bonding, dipole-dipole interactions, ion- dipole interactions and ionic bonds. Student than construct nanodrops of various solvents (water, ethanol, ethanol, etc.) are created that consist of 256, 512 or 1024 solvent molecules. At this point, several exercises are demonstrated including the impact that different solvents have on the bioactive peptides leucine and methoine enkephalin and the protein chignolin.

Key Words: Computers in Chemistry; phyiscal chemistry; computational chemistry

(*) Corresponding author. (E-mail:

Article in PDF format (1.86 MB) HTML format

Issue date: Dec, 31, 2009

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