Dual Basis Approach for Ab Initio Anharmonic Calculations...

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Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Micro-Solvated Biomolecules

Roy, Tapta Kanchan, Gerber, R. Benny
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00725
Date:
September, 2020
File:
PDF, 709 KB
2020
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