Tuning vibrational mode localization with frequency windowing X Cheng, JJ Talbot, RP Steele The Journal of Chemical Physics 145 (12), 2016 | 58 | 2016 |
Structural Progression in Clusters of Ionized Water, (H2O)n=1–5+ JD Herr, J Talbot, RP Steele The Journal of Physical Chemistry A 119 (4), 752-766, 2015 | 46 | 2015 |
Vibrational signatures of electronic properties in oxidized water: Unraveling the anomalous spectrum of the water dimer cation JJ Talbot, X Cheng, JD Herr, RP Steele Journal of the American Chemical Society 138 (36), 11936-11945, 2016 | 23 | 2016 |
Attraction-repulsion transition in the interaction of adatoms and vacancies in graphene S LeBohec, J Talbot, EG Mishchenko Physical Review B 89 (4), 045433, 2014 | 22 | 2014 |
Infrared signatures of isomer selectivity and symmetry breaking in the Cs+ (H2O) 3 complex using many-body potential energy functions M Riera, JJ Talbot, RP Steele, F Paesani The Journal of Chemical Physics 153 (4), 2020 | 19 | 2020 |
Spectroscopic signatures of mode-dependent tunnel splitting in the iodide–water binary complex JJ Talbot, N Yang, M Huang, CH Duong, AB McCoy, RP Steele, ... The Journal of Physical Chemistry A 124 (15), 2991-3001, 2020 | 12 | 2020 |
The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm–Dancoff approximation JJ Talbot, M Head-Gordon, SJ Cotton Molecular Physics 121 (7-8), e2153761, 2023 | 5 | 2023 |
Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic … JJ Talbot, M Head-Gordon, WH Miller, SJ Cotton Physical Chemistry Chemical Physics 24 (8), 4820-4831, 2022 | 5 | 2022 |
Quantum molecular motion in the mixed ion-radical complex,[(H 2 O)(H 2 S)]+ SD Floris, JJ Talbot, MJ Wilkinson, JD Herr, RP Steele Physical Chemistry Chemical Physics 18 (39), 27450-27459, 2016 | 5 | 2016 |
A Free Energy Decomposition Analysis: Insight into Binding Thermodynamics from Absolutely Localized Molecular Orbitals JJ Talbot, R Chakraborty, H Shen, M Head-Gordon The Journal of Physical Chemistry Letters 14 (23), 5432-5440, 2023 | 4 | 2023 |
Suppression of diffusion of hydrogen adatoms on graphene by effective adatom interaction J Talbot, S LeBohec, EG Mishchenko Physical Review B 93 (11), 115402, 2016 | 4 | 2016 |
Pitfalls in the n-mode representation of vibrational potentials EL Yang, JJ Talbot, RJ Spencer, RP Steele The Journal of Chemical Physics 159 (20), 2023 | 2 | 2023 |
Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm EL Yang, RJ Spencer, AA Zhanserkeev, JJ Talbot, RP Steele The Journal of Chemical Physics 159 (8), 2023 | 2 | 2023 |
Caught in the act: real-time observation of the solvent response that promotes excited-state proton transfer in pyranine C Hoberg, JJ Talbot, J Shee, T Ockelmann, DD Mahanta, F Novelli, ... Chemical science 14 (15), 4048-4058, 2023 | 2 | 2023 |
Adiabatic Molecular Orbital Tracking in Ab Initio Molecular Dynamics AA Zhanserkeev, JJ Talbot, RP Steele Journal of Chemical Theory and Computation 17 (8), 4675-4685, 2021 | 2 | 2021 |
Quantum chemical modeling of hydrogen binding in metal–organic frameworks: validation, insight, predictions and challenges R Chakraborty, JJ Talbot, H Shen, Y Yabuuchi, KM Carsch, HZH Jiang, ... Physical Chemistry Chemical Physics 26 (8), 6490-6511, 2024 | 1 | 2024 |
Fantastical excited state optimized structures and where to find them JJ Talbot, JE Arias-Martinez, SJ Cotton, M Head-Gordon The Journal of Chemical Physics 159 (17), 2023 | 1 | 2023 |
SIMULATING VIBRATIONAL ENERGY TRANSFER THAT PROMOTES EXCITED STATE PROTON TRANSFER IN PYRANINE JJ Talbot International Symposium on Molecular Spectroscopy, 2023 | | 2023 |
Spectroscopic Signatures of the Ground State and the Vibrationally Excited Iodide-Water Binary Complexes JJ Talbot, N Yang, M Huang, CH Duong, AB McCoy, RP Steele, ... EliScholar–A Digital Platform for Scholarly Publishing at Yal e, 68, 2021 | | 2021 |
Deciphering the vibrational signatures of the water-iodide binary complex through quantum computations. J Talbot, R Steele ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |