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Investigates various triamide conformations of For-Ala-Ala-NH2 by using ab initio calculations. X-ray crystallography; Analysis of type I' and type II' beta-turn conformations; Summary of all possible hairpin geometries of For-Ala-Ala-NH2.

Presents information on a study which investigates the relationship between pKa mismatch and hydrogen bond strength in a typical low-barrier hydrogen bond system, with reference to chemistry. Discussion on the link between pKa mismatch and hydrogen bond; Comparison of the smaller and larger differences in pKa values; Methodology used in the study; Results from the study.

Provides information on a study conducted on the characterization of low-barrier hydrogen bonds (LBHBs). Difference between short strong hydrogen bonds and LBHBs; Reference to previous studies of LBHBs; Methodology used to conduct study; Results of study.

Describes the characterization of low-barrier hydrogen bonds. Relationship between strength and geometry of short-strong hydrogen bonds; Formic acid-formate anion model system; Performance of ab initio and density functional theory investigation.

Characterizes the effects of microsolvation on the strength of low-barrier hydrogen bonds (LBHB). Interactions of formic acid molecules; Calculation of the interaction between water and formate; Geometries of LBHB; Relationship between the hydrogen bond distance and the calculated interaction energy.

Presents ab initio molecular orbital calculations of the structures and energies in the ring opening of cyclobutene-1,2-diones to form 1,3-butadiene-1,4-diones. Preference for twisted conformations; Ground state effects; Barriers for ring opening; Effects of substituents on the barriers and energy changes.

Presents information relating to the chemical characteristics of the 6-oxocyclohexa-2,4-dienylideneketene. Measurement of the kinetics of the reactivity with water (H2O, methyl hydroxyl (MeOH), and ethyl2ammonia (Et2NH); Indication of ab initio molecular orbital calculations; Characterization of alpha-oxoketenes.

Focuses on an experiment of the interconversion of cyclobutene-1, 2-diones and 1, 2-bisketnes for different combinations of substituents. Results of the investigation; Discussion on the investigation.