Article ID Journal Published Year Pages File Type
5387402 Chemical Physics Letters 2009 5 Pages PDF
Abstract
Distribution of hydrogen bond distances of 6-nitro-2,3-dipyrrol-2-ylquinoxaline anion: (a) N-H vs. H-N and (b) N-H vs. N-N from the CPMD and PIMD simulations.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Car-Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bond in the novel class of anionic H-chelates: 6-Nitro-2,3-dipyrrol-2-ylquinoxaline anion
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