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The Chemical Educator
ISSN: 1430-4171 (electronic version)
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, tmanning@valdosta.edu
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: tmanning@valdosta.edu)
Article in PDF format (1.86 MB) HTML format
Issue date: Dec,
31, 2009
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