Transition from Hydrogen Bonding to Ionization in (HCl)n(NH3)n and (HCl)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy-Reference-Cited by-同舟云学术

Transition from Hydrogen Bonding to Ionization in (HCl)n(NH3)n and (HCl)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy

Published:2001-08-21 Issue:36 Volume:105 Page:8323-8332
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Chaban Galina M.¹,Gerber R. Benny¹,Janda Kenneth C.¹

Affiliation:

1. NASA Ames Research Center, Mail Stop 230-3, Moffett Field, California 94035, Department of Chemistry and Institute of Surface and Interface Science, University of California, Irvine, California 92697, and Department of Physical Chemistry and The Fritz Haber Research Center, The Hebrew University, Jerusalem 91904, Israel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp011567k

Reference40 articles.

1. Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

2. Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field

3. Anharmonic Vibrational Spectroscopy of Hydrogen-Bonded Systems Directly Computed from ab Initio Potential Surfaces: (H2O)n, n = 2, 3; Cl-(H2O)n, n = 1, 2; H+(H2O)n, n = 1, 2; H2O−CH3OH

4. A comparative study of anharmonicity and matrix effects on the complexes XH:NH3, X=F, Cl, and Br

5. Unraveling Environmental Effects on Hydrogen-Bonded Complexes: Matrix Effects on the Structures and Proton-Stretching Frequencies of Hydrogen−Halide Complexes with Ammonia and Trimethylamine

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