Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Micro-Solvated Biomolecules
Roy, Tapta Kanchan, Gerber, R. BennyJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00725
Date:
September, 2020
File:
PDF, 709 KB
2020