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Title Local vibration mode theory by Prof. Elfi Kraka
Date 2020-08-04 Attachment LmodeA-v2.pdf
In a review published in WIREs Computational Molecular Science (WIREs Computational Molecular Science (2020). DOI: 10.1002/wcms.1480), Dr. Elfi Kraka of Southern Methodist University in Dallas, Texas, and her colleagues discuss how the local vibrational mode theory, originally developed by Konkoli and Cremer in 1998, offers a generally applicable solution to characterize any chemical bond in a molecule based on fundamental normal vibrational modes theory.  The attached PDF file contains information about the program to calculate the local vibrational mode and short description of the local mode theory. Currently, the software is distributed on request. After a few months of testing period, the code will be freely available.