| Recent developments in the general atomic and molecular electronic structure system GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... The Journal of chemical physics 152 (15), 2020 | 1168 | 2020 |
| A general spin-complete spin-flip configuration interaction method J Mato, MS Gordon Physical Chemistry Chemical Physics 20 (4), 2615-2626, 2018 | 45 | 2018 |
| The general atomic and molecular electronic structure system (GAMESS): novel methods on novel architectures F Zahariev, P Xu, BM Westheimer, S Webb, J Galvez Vallejo, A Tiwari, ... Journal of Chemical Theory and Computation 19 (20), 7031-7055, 2023 | 30 | 2023 |
| M. W loch, P. Xu, F. Zahariev, and MS Gordon GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... J. Chem. Phys 152, 154102, 2020 | 23 | 2020 |
| Accuracy of the PM6 and PM7 methods on bare and thiolate-protected gold nanoclusters J Mato, EB Guidez The Journal of Physical Chemistry A 124 (13), 2601-2615, 2020 | 16 | 2020 |
| Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical Intersections J Mato, MS Gordon The Journal of Physical Chemistry A 123 (6), 1260-1272, 2019 | 14 | 2019 |
| Analytic non-adiabatic couplings for the spin-flip ORMAS method J Mato, MS Gordon Physical Chemistry Chemical Physics 22 (3), 1475-1484, 2020 | 13 | 2020 |
| The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca J Mato, D Tzeli, SS Xantheas The Journal of Chemical Physics 157 (8), 2022 | 12 | 2022 |
| Adaptive-partitioning multilayer dynamics simulations: 1. On-the-fly switch between two quantum levels of theory J Mato, AW Duster, EB Guidez, H Lin Journal of chemical theory and computation 17 (9), 5456-5465, 2021 | 10 | 2021 |
| Stability and dissociation of ethylenedione (OCCO) J Mato, D Poole, MS Gordon The Journal of Physical Chemistry A 124 (40), 8209-8222, 2020 | 10 | 2020 |
| Excited state properties of 5-formylcytosine and 5-hydroxymethylcytosine J Mato, K Keipert, MS Gordon Molecular Physics 115 (21-22), 2721-2730, 2017 | 5 | 2017 |
| The Back Door to the Surface Hydrated Electron J Mato, SY Willow, JC Werhahn, SS Xantheas The Journal of Physical Chemistry Letters 14 (36), 8221-8226, 2023 | 2 | 2023 |
| Publisher’s Note:“The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca”[J. Chem. Phys. 157, 084313 (2022)] J Mato, D Tzeli, SS Xantheas The Journal of Chemical Physics 157 (12), 2022 | | 2022 |
| Analytic non-adiabatic couplings for the spin-flip ORMAS method M Gordon, J Mato, MS Gordon Royal Society of Chemistry, 2020 | | 2020 |
| The spin-flip guide to multi-reference quantum chemistry J Mato Iowa State University, 2019 | | 2019 |
| Spin-Correct Spin-Flip Using ORMAS MS Gordon, J Mato ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Strategies for accurate computations on excited electronic states of complex molecules M Gordon, J Mato, K Keipert ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Examining the excited state deactivation pathways of 5-hydroxymethylcytosine J Mato, K Keipert, M Gordon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Introducing a general spin-correct spin-flip configuration interaction method that includes dynamic correlation J Mato, M Gordon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
Sotiris S. XantheasLaboratory Fellow, PNNL / Chemistry, University of WashingtonПодтвержден адрес электронной почты в домене pnnl.gov