Molecular Self-Assemblies 5: An Analysis of the Vector Properties of Hydrogen Bonding in Crystal Engineering

Kitaigorodskii's aufbau principle (KAP) is used to analyze hydrogen bonding as a vector for the packing of molecules in the crystalline solid state. Using the CFF91 force field to compute the moleculemolecule interaction potential, we find that the signature for hydrogen bonding of NH and OH do...

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Bibliographic Details
Main Authors: PERLSTEIN, Jerry, STEPPE, Kevin
Format: text
Language:English
Published: Institutional Knowledge at Singapore Management University 1996
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Online Access:https://ink.library.smu.edu.sg/sis_research/72
http://dx.doi.org/10.1021/ja9543412
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Institution: Singapore Management University
Language: English