On-the-fly ab intito calculations of anharmonic vibrational frequencies: Local-monomer theory and application to HCl clusters
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4826351
Reference55 articles.
1. Revealing the Subtle Interplay of Thermal and Quantum Fluctuation Effects on Contact Ion Pairing in Microsolvated HCl
2. Benchmark Study of the Interaction Energy for an (H2O)16 Cluster: Quantum Monte Carlo and Complete Basis Set Limit MP2 Results
3. Methanol clusters (CH3OH)n: Putative global minimum-energy structures from model potentials and dispersion-corrected density functional theory
4. A combined Raman- and infrared jet study of mixed methanol–water and ethanol–water clusters
5. Infrared Spectroscopy of (HCl)m(H2O)n Clusters in Helium Nanodroplets: Definitive Assignments in the HCl Stretch Region
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