Vincenzo Barone, Silvia Alessandrini, Malgorzata Biczysko, James R. Cheeseman, David C. Clary, Anne B. McCoy, Ryan J. DiRisio, Frank Neese, Mattia Melosso and Cristina Puzzarini

Nat Rev Methods Primers, 2021, 1
DOI: 10.1038/s43586-021-00034-1

Isomers and band assignments in the cryogenic vibrational spectrum of the binary complex between water and protonated formic acid using two color, IR–IR photobleaching and H/D isotopic substitution

Erica L. Bocanegra, Abhijit Rana, Anne B. McCoy and Mark A. Johnson

The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0269798

Correlations between the Structures and Spectra of Protonated Water Clusters

Jacob M. Finney and Anne B. McCoy

J. Phys. Chem. A, 2024, 128, 868
DOI: 10.1021/acs.jpca.3c07338

Near-Infrared Spectroscopy and Anharmonic Theory of Protonated Water Clusters: Higher Elevations in the Hydrogen Bonding Landscape

D. C. McDonald, J. P. Wagner, A. B. McCoy and M. A. Duncan

J. Phys. Chem. Lett., 2018, 9, 5664
DOI: 10.1021/acs.jpclett.8b02499

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR–IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core

Chinh H. Duong, Nan Yang, Patrick J. Kelleher, Mark A. Johnson, Ryan J. DiRisio, Anne B. McCoy, Qi Yu, Joel M. Bowman, Bryan V. Henderson and Kenneth D. Jordan

J. Phys. Chem. A, 2018, 122, 9275
DOI: 10.1021/acs.jpca.8b08507

An Efficient Approach for Studies of Water Clusters Using Diffusion Monte Carlo

Victor G. M. Lee and Anne B. McCoy

J. Phys. Chem. A, 2019, 123, 8063
DOI: 10.1021/acs.jpca.9b06444

Exploring the Origins of Spectral Signatures of Strong Hydrogen Bonding in Protonated Water Clusters

Rachel M. Huchmala and Anne B. McCoy

J. Phys. Chem. A, 2022, 126, 1360
DOI: 10.1021/acs.jpca.1c10036

Computational rotational–vibrational spectroscopic analysis of isomeric species in the interstellar gas-phase stereoinversion of amino acid threonine

Namrata Rani and Vikas

Molecular Astrophysics, 2019, 15, 8
DOI: 10.1016/j.molap.2019.04.002

Where is the hidden intramolecular H-bonding vibrational signal in the proline matrix IR spectrum?

James Langford, Yuzhe Zhang, Zehua Chen and Yang Yang

The Journal of Chemical Physics, 2024, 161
DOI: 10.1063/5.0226184

Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of H7O3+ and H9O4+

Ryan J. DiRisio, Jacob M. Finney, Laura C. Dzugan, Lindsey R. Madison and Anne B. McCoy

J. Phys. Chem. A, 2021, 125, 7185
DOI: 10.1021/acs.jpca.1c05025

A flexible approach to vibrational perturbation theory using sparse matrix methods

Mark A. Boyer and Anne B. McCoy

The Journal of Chemical Physics, 2022, 156
DOI: 10.1063/5.0080892