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The Correlation of Physical Properties of Organic Molecules with Computed Molecular Surface Areas
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Abstract
The objective of this paper is to show that a student's understanding of molecular properties can be enhanced with the study of molecular surface areas obtained from readily available molecular modeling software.
Keywords (Audience):
Upper-Division UndergraduateKeywords (Domain):
Physical ChemistryKeywords (Pedagogy):
Computer-Based LearningKeywords (Subject):
Computational ChemistryCiting Articles
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This article has been cited by 6 ACS Journal articles (5 most recent appear below).
A Closer Look at Trends in Boiling Points of Hydrides: Using an Inquiry-Based Approach To Teach Intermolecular Forces of Attraction
Samantha Glazier and Nadia Marano, Laura EisenJournal of Chemical Education2010 87 (12), 1336-1341A Closer Look at Trends in Boiling Points of Hydrides: Using an Inquiry-Based Approach To Teach Intermolecular Forces of Attraction
Samantha Glazier and Nadia Marano, Laura EisenJournal of Chemical Education2010 87 (12), 1336-1341We describe how we use boiling-point trends of group IV−VII hydrides to introduce intermolecular forces in our first-year general chemistry classes. Starting with the idea that molecules in the liquid state are held together by some kind of force that ...
Helping Students Assess the Relative Importance of Different Intermolecular Interactions
Paul G. JasienJournal of Chemical Education2008 85 (9), 1222Helping Students Assess the Relative Importance of Different Intermolecular Interactions
Paul G. JasienJournal of Chemical Education2008 85 (9), 1222A semi-quantitative model has been developed to estimate the relative effects of dispersion, dipole–dipole interactions, and H-bonding on the normal boiling points (Tb) for a subset of simple organic systems. The model is based upon a statistical analysis ...
Teaching Structure–Property Relationships: Investigating Molecular Structure and Boiling Point
Peter M. MurphyJournal of Chemical Education2007 84 (1), 97Teaching Structure–Property Relationships: Investigating Molecular Structure and Boiling Point
Peter M. MurphyJournal of Chemical Education2007 84 (1), 97The boiling points for 392 organic compounds are tabulated by carbon chain length and functional group to facilitate a wide range of inquiry-based activities that correlate the effects of chemical structure on physical properties. When combined with ...
Exploring Organic Mechanistic Puzzles with Molecular Modeling
Gail Horowitz and Gary SchwartzJournal of Chemical Education2004 81 (8), 1136Exploring Organic Mechanistic Puzzles with Molecular Modeling
Gail Horowitz and Gary SchwartzJournal of Chemical Education2004 81 (8), 1136Molecular modeling projects in the form of mechanistic organic puzzles are described. Students, working in small groups, deduced reaction mechanisms and calculated heats of formation of intermediates and products in order to predict thermodynamic and ...
Correlation of Boiling Point with Molecular Surface Area
Ronald L. RichJournal of Chemical Education2003 80 (11), 1258Correlation of Boiling Point with Molecular Surface Area
Ronald L. RichJournal of Chemical Education2003 80 (11), 1258Commentary on correlating boiling point with molecular surface area.
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- Received: August 03, 2009
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Ka1Ka2 can be derived in only two lines by recognizing that the principal reaction in a solution of HA- is its autoprotolysis. The supposedly rigorous equation derived in many texts gives pH values that are no more reliable.
