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Physical Chemistry Chemical Physics : PCCP
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January 11, 2018
A general spin-complete spin-flip configuration interaction method
Joani Mato, Mark S Gordon
The Journal of Physical Chemistry. A
|
January 16, 2019
Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical Intersections
Joani Mato, Mark S Gordon
The Journal of Physical Chemistry. A
|
March 11, 2020
Accuracy of the PM6 and PM7 Methods on Bare and Thiolate-Protected Gold Nanoclusters
Joani Mato, Emilie B Guidez
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2019
Analytic non-adiabatic couplings for the spin-flip ORMAS method
Joani Mato, Mark S Gordon
The Journal of Physical Chemistry. A
|
April 15, 2025
The Many-Body Expansion for Metals: II. Nonadditive Terms in Clusters Composed of Metals with n<i>s</i><sup>1</sup>, n<i>s</i><sup>2</sup>, and n<i>s</i><sup>2</sup><i>p</i><sup>1</sup> Configurations
Demeter Tzeli, Joani Mato, Sotiris S Xantheas
The Journal of Physical Chemistry. A
|
September 18, 2020
Stability and Dissociation of Ethylenedione (OCCO)
Joani Mato, David Poole, Mark S Gordon
The Journal of Chemical Physics
|
October 1, 2022
Publisher's Note: "The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca" [J. Chem. Phys. 157, 084313 (2022)]
Joani Mato, Demeter Tzeli, Sotiris S Xantheas
The Journal of Chemical Physics
|
September 1, 2022
The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca
Joani Mato, Demeter Tzeli, Sotiris S Xantheas
Journal of Chemical Theory and Computation
|
August 27, 2021
Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory
Joani Mato, Adam W Duster, Emilie B Guidez, et al.
The Journal of Physical Chemistry Letters
|
September 6, 2023
The Back Door to the Surface Hydrated Electron
Joani Mato, Soohaeng Yoo Willow, Jasper C Werhahn, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
January 11, 2018
A general spin-complete spin-flip configuration interaction method
Joani Mato, Mark S Gordon
The Journal of Physical Chemistry. A
|
January 16, 2019
Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical Intersections
Joani Mato, Mark S Gordon
The Journal of Physical Chemistry. A
|
March 11, 2020
Accuracy of the PM6 and PM7 Methods on Bare and Thiolate-Protected Gold Nanoclusters
Joani Mato, Emilie B Guidez
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2019
Analytic non-adiabatic couplings for the spin-flip ORMAS method
Joani Mato, Mark S Gordon
The Journal of Physical Chemistry. A
|
April 15, 2025
The Many-Body Expansion for Metals: II. Nonadditive Terms in Clusters Composed of Metals with n<i>s</i><sup>1</sup>, n<i>s</i><sup>2</sup>, and n<i>s</i><sup>2</sup><i>p</i><sup>1</sup> Configurations
Demeter Tzeli, Joani Mato, Sotiris S Xantheas
The Journal of Physical Chemistry. A
|
September 18, 2020
Stability and Dissociation of Ethylenedione (OCCO)
Joani Mato, David Poole, Mark S Gordon
The Journal of Chemical Physics
|
October 1, 2022
Publisher's Note: "The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca" [J. Chem. Phys. 157, 084313 (2022)]
Joani Mato, Demeter Tzeli, Sotiris S Xantheas
The Journal of Chemical Physics
|
September 1, 2022
The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca
Joani Mato, Demeter Tzeli, Sotiris S Xantheas
Journal of Chemical Theory and Computation
|
August 27, 2021
Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory
Joani Mato, Adam W Duster, Emilie B Guidez, et al.
The Journal of Physical Chemistry Letters
|
September 6, 2023
The Back Door to the Surface Hydrated Electron
Joani Mato, Soohaeng Yoo Willow, Jasper C Werhahn, et al.
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of 2