Exploration of the Potential Energy Surfaces, Prediction of Atmospheric Concentrations, and Prediction of Vibrational Spectra for the HO2(H2O)n (N = 1-2) Hydrogen Bonded Complexes

doi 10.1021/jp057165k.s001

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Exploration of the Potential Energy Surfaces, Prediction of Atmospheric Concentrations, and Prediction of Vibrational Spectra for the HO2(H2O)n (N = 1-2) Hydrogen Bonded Complexes

Full Text

Abstract

Date

Authors

Publisher

Related search

Vibrational Spectroscopy of NO+(H2O)n: Evidence for the Intracluster Reaction NO+(H2O)n→H3O+(H2O)n−2 (HONO) at N≥4

Microsolvation Effect, Hydrogen-Bonding Pattern, and Electron Affinity of the Uracil-Water Complexes U-(H2O)n (N = 1, 2, 3)

Determination of Vibrational Potential Energy Surfaces From Raman and Infrared Spectra

Vibrational Spectroscopy of (SO42−)∙(H2O)n Clusters, N=1–5: Harmonic and Anharmonic Calculations and Experiment

Synthesis and Circular Dichroism Spectra Ofmer(N)-Cis(NH3)-[Co(OO)(NH3)2(py)(H2O)]+andmer(N)-[Co(OO)(en)(py)(H2O)]+Complexes

Hydration Shell Structure of the OH−(H2O)n=1–15 Clusters From a Model Potential Energy Function

Electronic and Vibrational Spectra of Protonated Benzaldehyde-Water Clusters, [BZ-(H2O)n≤5]H+: Evidence for Ground-State Proton Transfer to Solvent for N ≥ 3

The CD Spectra of Carbonato Complexes of the [Co(CO3)(O,O)(N)2]−and [Co(CO3)(N)4]+Types and Related Diaqua Complexes

Vibrational Dynamics of Hydrogen-Bonded Complexes Studied by Infrared Pump-Probe Spectroscopy