| Understanding the surface hopping view of electronic transitions and decoherence JE Subotnik, A Jain, B Landry, A Petit, W Ouyang, N Bellonzi Annual review of physical chemistry 67, 387-417, 2016 | 379 | 2016 |
| Infrared-driven unimolecular reaction of CH3CHOO Criegee intermediates to OH radical products F Liu, JM Beames, AS Petit, AB McCoy, MI Lester Science 345 (6204), 1596-1598, 2014 | 145 | 2014 |
| Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories AS Petit, JE Subotnik The Journal of Chemical Physics 141 (15), 2014 | 42 | 2014 |
| How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: A simple generalization of ground-state Kubo theory AS Petit, JE Subotnik The Journal of chemical physics 141 (1), 2014 | 42 | 2014 |
| Appraisal of surface hopping as a tool for modeling condensed phase linear absorption spectra AS Petit, JE Subotnik Journal of Chemical Theory and Computation 11 (9), 4328-4341, 2015 | 29 | 2015 |
| Diffusion Monte Carlo Approaches for Evaluating Rotationally Excited States of Symmetric Top Molecules: Application to H3O+ and D3O+ AS Petit, AB McCoy The Journal of Physical Chemistry A 113 (45), 12706-12714, 2009 | 27 | 2009 |
| Diffusion Monte Carlo in internal coordinates AS Petit, AB McCoy The Journal of Physical Chemistry A 117 (32), 7009-7018, 2013 | 26 | 2013 |
| Diffusion Monte Carlo studies of low energy ro-vibrational states of CH5+ and its deuterated isotopologues CE Hinkle, AS Petit, AB McCoy Journal of Molecular Spectroscopy 268 (1-2), 189-198, 2011 | 23 | 2011 |
| Simultaneous Evaluation of Multiple Rotationally Excited States of H3+, H3O+, and CH5+ Using Diffusion Monte Carlo AS Petit, JE Ford, AB McCoy The Journal of Physical Chemistry A 118 (35), 7206-7220, 2014 | 22 | 2014 |
| Simple and efficient theoretical approach to compute 2D optical spectra A Jain, AS Petit, JM Anna, JE Subotnik The Journal of Physical Chemistry B 123 (7), 1602-1617, 2019 | 18 | 2019 |
| Nonstatistical dissociation dynamics of nitroaromatic chromophores KJ Blackshaw, BI Ortega, NK Quartey, WE Fritzeen, RT Korb, AK Ajmani, ... The Journal of Physical Chemistry A 123 (19), 4262-4273, 2019 | 17 | 2019 |
| Chiroptical characterization tools for asymmetric small molecules–experimental and computational approaches for electronic circular dichroism (ECD) and anisotropy spectroscopy AC Evans, AS Petit, SG Guillen, AJ Neukirch, SV Hoffmann, NC Jones RSC advances 11 (3), 1635-1643, 2021 | 12 | 2021 |
| Stereodynamic Control of Collision-Induced Nonadiabatic Dynamics of NO (A2Σ+) with H2, N2, and CO: Intermolecular Interactions Drive Collision Outcomes JL Guardado, DJ Hood, K Luong, NM Kidwell, AS Petit The Journal of Physical Chemistry A 125 (40), 8803-8815, 2021 | 11 | 2021 |
| Structure–Photochemical Function Relationships in Nitrogen-Containing Heterocyclic Aromatic Photobases Derived from Quinoline SF Alamudun, K Tanovitz, A Fajardo, K Johnson, A Pham, ... The Journal of Physical Chemistry A 124 (13), 2537-2546, 2020 | 11 | 2020 |
| Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: Applications to H3+ and H3O+ AS Petit, BA Wellen, AB McCoy The Journal of Chemical Physics 136 (7), 2012 | 11 | 2012 |
| Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: Application to H2D+ AS Petit, BA Wellen, AB McCoy The Journal of Chemical Physics 138 (3), 2013 | 10 | 2013 |
| Structure–Photochemical Function Relationships in the Photobasicity of Aromatic Heterocycles Containing Multiple Ring Nitrogen Atoms SF Alamudun, K Tanovitz, L Espinosa, A Fajardo, J Galvan, AS Petit The Journal of Physical Chemistry A 125 (1), 13-24, 2020 | 5 | 2020 |
| Correction to “Diffusion Monte Carlo Approaches for Evaluating Rotationally Excited states of Symmetric Top Molecules: Application to H3O+ and D3O+” AS Petit, AB McCoy The Journal of Physical Chemistry A 115 (33), 9325-9327, 2011 | 5 | 2011 |
| Computationally Probing the Mechanism of the Blue-Light-Driven O–H Functionalization of Alcohols by Aryldiazoacetates: Photobasicity or Carbene Chemistry GM Gallardo, DJ Ventura, AS Petit The Journal of Organic Chemistry 87 (9), 6212-6223, 2022 | 4 | 2022 |
| Reactive quenching of NO (A 2 Σ+) with H 2 O leads to HONO: a theoretical analysis of the reactive and nonreactive electronic quenching mechanisms JL Guardado, JA Urquilla, NM Kidwell, AS Petit Physical Chemistry Chemical Physics 24 (43), 26717-26730, 2022 | 4 | 2022 |
