Anne B. McCoy

Research.com Recognitions

• 2022 - Garvan–Olin Medal, American Chemical Society (ACS)
• 2011 - Fellow of the American Association for the Advancement of Science (AAAS)
• 2009 - Fellow of the American Chemical Society
• 2007 - Fellow of American Physical Society (APS) Citation For contributions to the development of theoretical and computational insight into the spectroscopy and dynamics of molecules and molecular complexes that exhibit large amplitude motions

Overview

Best Publications

• The vibrational predissociation spectra of the H5O2+∙RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion

  Nathan I. Hammer;Eric G. Diken;Joseph R. Roscioli;Mark A. Johnson

  343
  Citations

• Spectroscopic snapshots of the proton-transfer mechanism in water

  Conrad T. Wolke;Joseph A. Fournier;Joseph A. Fournier;Laura C. Dzugan;Matias Ruben Fagiani;Matias Ruben Fagiani

  325
  Citations

• Prying Apart a Water Molecule with Anionic H-Bonding: A Comparative Spectroscopic Study of the X-·H2O (X = OH, O, F, Cl, and Br) Binary Complexes in the 600−3800 cm-1 Region

  Joseph R. Roscioli;Eric G. Diken;Mark A. Johnson;Samantha Horvath

  233
  Citations

• Fundamental excitations of the shared proton in the H3O2- and H5O2+ complexes.

  Eric G. Diken;Jeffrey M. Headrick;Joseph R. Roscioli;Joseph C. Bopp

  206
  Citations

• Computational molecular spectroscopy

  Vincenzo Barone;Silvia Alessandrini;Malgorzata Biczysko;James R. Cheeseman

  180
  Citations

• Infrared-driven unimolecular reaction of CH3CHOO Criegee intermediates to OH radical products

  Fang Liu;Joseph M. Beames;Andrew S. Petit;Anne B. McCoy

  173
  Citations

• Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems

  Anne B. McCoy

  172
  Citations

• Rate of Gas Phase Association of Hydroxyl Radical and Nitrogen Dioxide

  Andrew K. Mollner;Sivakumaran Valluvadasan;Lin Feng;Matthew K. Sprague

  155
  Citations

• Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes

  Etienne Garand;Michael Z. Kamrath;Peter A. Jordan;Arron B. Wolk

  153
  Citations

• Quantum deconstruction of the infrared spectrum of CH5

  Xinchuan Huang;Xinchuan Huang;Xinchuan Huang;Anne B. McCoy;Anne B. McCoy;Anne B. McCoy;Joel M. Bowman;Joel M. Bowman;Joel M. Bowman;Lindsay M. Johnson;Lindsay M. Johnson;Lindsay M. Johnson

  150
  Citations

• Spectroscopic Study of the Ion−Radical H-Bond in H4O2+†

  George H Gardenier;Mark A Johnson;Anne B McCoy

  148
  Citations

• Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface.

  Anne B. McCoy;Xinchuan Huang;Stuart Carter;Marc Y. Landeweer

  144
  Citations

• Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach.

  Alex Brown;Anne B. McCoy;Bastiaan J. Braams;Zhong Jin

  135
  Citations

• Quantum studies of the vibrations in H3O2− and D3O2−

  Anne B. McCoy;Xinchuan Huang;Stuart Carter;Joel M. Bowman

  131
  Citations

• Communication: Real time observation of unimolecular decay of Criegee intermediates to OH radical products

  Yi Fang;Fang Liu;Victoria P. Barber;Stephen J. Klippenstein

  127
  Citations

• Vibrational manifestations of strong non-Condon effects in the H3O+·X3 (X = Ar, N2, CH4, H2O) complexes: A possible explanation for the intensity in the “association band” in the vibrational spectrum of water

  Anne B. McCoy;Timothy L. Guasco;Christopher M. Leavitt;Solveig G. Olesen

  121
  Citations

• How the Shape of an H-Bonded Network Controls Proton-Coupled Water Activation in HONO Formation

  Rachael A. Relph;Timothy L. Guasco;Ben M. Elliott;Michael Z. Kamrath

  120
  Citations

• An H/D isotopic substitution study of the H5O2+.Ar vibrational predissociation spectra: exploring the putative role of Fermi resonances in the bridging proton fundamentals.

  Laura R. Mccunn;Joseph R. Roscioli;Mark A. Johnson;Anne B. Mccoy

  117
  Citations

• Unraveling anharmonic effects in the vibrational predissociation spectra of H5O2(+) and its deuterated analogues.

  Timothy L Guasco;Mark A Johnson;Anne B McCoy

  108
  Citations

• Ab initio diffusion Monte Carlo calculations of the quantum behavior of CH5+ in full dimensionality

  Anne B. Mccoy;Bastiaan J. Braams;T. Alex Brown;Xinchuan Huang

  107
  Citations