Electron-affinity time-dependent density functional theory: Formalism and applications to core-excited states K Carter-Fenk, LA Cunha, JE Arias-Martinez, M Head-Gordon The Journal of Physical Chemistry Letters 13 (41), 9664-9672, 2022 | 21 | 2022 |
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach JE Arias-Martinez, LA Cunha, KJ Oosterbaan, J Lee, M Head-Gordon Physical Chemistry Chemical Physics 24 (35), 20728-20741, 2022 | 18 | 2022 |
Visible light-triggered fluorescence and pH modulation using metastable-state photoacids and BODIPY PK Patel, JE Arias, RS Gongora, FE Hernandez, A Moncomble, S Aloïse, ... Physical Chemistry Chemical Physics 20 (42), 26804-26808, 2018 | 14 | 2018 |
Generalization of One-Center Nonorthogonal Configuration Interaction Singles to Open-Shell Singlet Reference States: Theory and Application to Valence-Core Pump-Probe States in … JE Arias-Martinez, H Wu, M Head-Gordon Journal of Chemical Theory and Computation 20 (2), 752-766, 2024 | 4 | 2024 |
Femtosecond core-level spectroscopy reveals signatures of transient excited states in the photodissociation of Fe (CO) 5 J Tross, J Arias-Martinez, K Carter-Fenk, N Cole-Filipiak, P Schrader, ... | 3 | 2023 |
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 | 3 | 2023 |
Femtosecond Core-Level Spectroscopy Reveals Involvement of Triplet States in the Gas-Phase Photodissociation of Fe(CO)5 J Troß, JE Arias-Martinez, K Carter-Fenk, NC Cole-Filipiak, P Schrader, ... Journal of the American Chemical Society, 2024 | 1 | 2024 |
Prize Talk: Justin Jankunas Doctoral Dissertation Award Finalists: Developing a Quantum Chemical Toolbox for Accurate Modeling of K-edges and Beyond L dos Anjos Cunha, R Kang, K Carter-Fenk, J Arias-Martinez, D Hait, ... Bulletin of the American Physical Society, 2024 | | 2024 |
Photodissociation of Fe(CO)5: Insights from femtosecond core-level spectroscopy and theory K Carter-Fenk, J Tross, J Arias-Martinez, N Cole-Filipiak, P Schrader, ... Bulletin of the American Physical Society, 2024 | | 2024 |
Cooking core spectroscopy with the finest ingredients: Computational recipes based on orbital-optimized references JE Arias Martinez UC Berkeley, 2023 | | 2023 |
Open-Form Configurational Isomers of a Tricyanofuran-Type Metastable-State Photoacid JE Arias, D Richardson, EE Romero, M Abdelrahim, PK Patel, ... ACS omega 7 (21), 17538-17543, 2022 | | 2022 |
Isomers of tricyanofuran-type metastable-state photoacids: A mixed theoretical and experimental approach J Arias, D Richardson, E Romero, P Patel, KC Torres ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Conformations of Tricyanofuran-type Metastable-state Photoacids JE Arias | | 2019 |
Using Metastable-state Photoacid for Fluorescence and pH Modulation R Gongora, J Arias, P Patel, K Chumbimuni-Torres | | 2017 |