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Physical Chemistry Chemical Physics : PCCP
|
August 2, 2019
The addition of methanol to Criegee intermediates
Gustavo J R Aroeira, Adam S Abbott, Sarah N Elliott, et al.
The Journal of Chemical Physics
|
January 21, 2023
Enthalpies of formation for Criegee intermediates: A correlation energy convergence study
James M Begley, Gustavo J R Aroeira, Justin M Turney, et al.
The Journal of Chemical Physics
|
August 22, 2024
Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian
Andy Jiang, Zachary L Glick, David Poole, et al.
Journal of Chemical Theory and Computation
|
July 9, 2019
PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Adam S Abbott, Justin M Turney, Boyi Zhang, et al.
The Journal of Physical Chemistry. A
|
December 6, 2024
Evaluating the Importance of Conformers for Understanding the Vacuum-Ultraviolet Spectra of Oxiranes: Experiment and Theory
Ian T Beck, Erica C Mitchell, Annabelle Webb Hill, et al.
The Journal of Chemical Physics
|
October 3, 2019
Characterization of the 2-methylvinoxy radical + O<sub>2</sub> reaction: A focal point analysis and composite multireference study
Matthew M Davis, Jared D Weidman, Adam S Abbott, et al.
Journal of Computational Chemistry
|
January 10, 2024
Exploring the Tl <math> </math> H <math> </math> potential energy surface: A comparative analysis with group 13 systems and experiment
Carson L Tang, Alexander G Heide, Alexandra D Heide, et al.
The Journal of Physical Chemistry. A
|
December 26, 2025
Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions
Ethan J Poncelet, Mitchell E Lahm, Anna G Poncelet, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
A wealth of structures for the Ge<sub>2</sub>H<sub>2</sub><sup>+</sup> radical cation: comparison of theory and experiment
Ethan J Poncelet, Henry F Mull, Yohannes Abate, et al.
Journal of Chemical Theory and Computation
|
March 6, 2026
Local Pair Natural Orbital-Based Coupled-Cluster Theory through Full Quadruples (DLPNO-CCSDTQ)
Andy Jiang, Devin A Matthews, David Poole, et al.
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of 7
Search research articles
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Showing results (51-60 of 67) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2019
The addition of methanol to Criegee intermediates
Gustavo J R Aroeira, Adam S Abbott, Sarah N Elliott, et al.
The Journal of Chemical Physics
|
January 21, 2023
Enthalpies of formation for Criegee intermediates: A correlation energy convergence study
James M Begley, Gustavo J R Aroeira, Justin M Turney, et al.
The Journal of Chemical Physics
|
August 22, 2024
Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian
Andy Jiang, Zachary L Glick, David Poole, et al.
Journal of Chemical Theory and Computation
|
July 9, 2019
PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Adam S Abbott, Justin M Turney, Boyi Zhang, et al.
The Journal of Physical Chemistry. A
|
December 6, 2024
Evaluating the Importance of Conformers for Understanding the Vacuum-Ultraviolet Spectra of Oxiranes: Experiment and Theory
Ian T Beck, Erica C Mitchell, Annabelle Webb Hill, et al.
The Journal of Chemical Physics
|
October 3, 2019
Characterization of the 2-methylvinoxy radical + O<sub>2</sub> reaction: A focal point analysis and composite multireference study
Matthew M Davis, Jared D Weidman, Adam S Abbott, et al.
Journal of Computational Chemistry
|
January 10, 2024
Exploring the Tl <math> </math> H <math> </math> potential energy surface: A comparative analysis with group 13 systems and experiment
Carson L Tang, Alexander G Heide, Alexandra D Heide, et al.
The Journal of Physical Chemistry. A
|
December 26, 2025
Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions
Ethan J Poncelet, Mitchell E Lahm, Anna G Poncelet, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
A wealth of structures for the Ge<sub>2</sub>H<sub>2</sub><sup>+</sup> radical cation: comparison of theory and experiment
Ethan J Poncelet, Henry F Mull, Yohannes Abate, et al.
Journal of Chemical Theory and Computation
|
March 6, 2026
Local Pair Natural Orbital-Based Coupled-Cluster Theory through Full Quadruples (DLPNO-CCSDTQ)
Andy Jiang, Devin A Matthews, David Poole, et al.
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of 7