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The Journal of Chemical Physics
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June 3, 2016
Natural ionization orbitals for interpreting electron detachment processes
Lee M Thompson, Hassan Harb, Hrant P Hratchian
Journal of Chemical Theory and Computation
|
November 20, 2019
Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model To Improve Density Functional Calculations
Xianghai Sheng, Lee M Thompson, Hrant P Hratchian
The Journal of Chemical Physics
|
March 11, 2025
Revealing correlation mechanisms through nonorthogonal multiconfiguration self-consistent field calculations
Zihui Song, Jonathan S Bersson, Lee M Thompson
The Journal of Chemical Physics
|
March 17, 2017
Explaining the MoVO<sub>4</sub><sup>-</sup> photoelectron spectrum: Rationalization of geometric and electronic structure
Lee M Thompson, Caroline C Jarrold, Hrant P Hratchian
The Journal of Physical Chemistry. A
|
September 8, 2021
Oriented External Electric Field Tuning of Unsubstituted Azoheteroarene Thermal Isomerization Half-Lives
Irma Avdic, Emily M Kempfer-Robertson, Lee M Thompson
The Journal of Chemical Physics
|
August 24, 2020
Difference projection-after-variation double-hybrid density functional theory applied to the calculation of vertical excitation energies
Emily M Kempfer-Robertson, Thomas Dane Pike, Lee M Thompson
The Journal of Physical Chemistry. A
|
January 16, 2025
Distance and Orientation Dependence of Triplet-Triplet Energy Transfer Couplings Based on Nonorthogonal Multireference Wave Functions
Saptarshi Saha, Megan J Mackintosh, Lee M Thompson, et al.
The Journal of Chemical Physics
|
February 3, 2025
Electronic structures and spin frustration in Ln3O (Ln = Ce, Sm, Gd) neutrals and anions determined by anion photoelectron spectroscopy
Caleb D Huizenga, Shivangi Vaish, Lee M Thompson, et al.
Chemical Communications (Cambridge, England)
|
February 18, 2026
Computational modeling of triplet energy transfer processes: progress and future challenges
Lee M Thompson, Megan J Mackintosh, Saptarshi Saha, et al.
The Journal of Chemical Physics
|
February 10, 2025
Photoelectron-remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events
Adam M Kinyua, Hrant P Hratchian, Caroline C Jarrold, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 39) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
June 3, 2016
Natural ionization orbitals for interpreting electron detachment processes
Lee M Thompson, Hassan Harb, Hrant P Hratchian
Journal of Chemical Theory and Computation
|
November 20, 2019
Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model To Improve Density Functional Calculations
Xianghai Sheng, Lee M Thompson, Hrant P Hratchian
The Journal of Chemical Physics
|
March 11, 2025
Revealing correlation mechanisms through nonorthogonal multiconfiguration self-consistent field calculations
Zihui Song, Jonathan S Bersson, Lee M Thompson
The Journal of Chemical Physics
|
March 17, 2017
Explaining the MoVO<sub>4</sub><sup>-</sup> photoelectron spectrum: Rationalization of geometric and electronic structure
Lee M Thompson, Caroline C Jarrold, Hrant P Hratchian
The Journal of Physical Chemistry. A
|
September 8, 2021
Oriented External Electric Field Tuning of Unsubstituted Azoheteroarene Thermal Isomerization Half-Lives
Irma Avdic, Emily M Kempfer-Robertson, Lee M Thompson
The Journal of Chemical Physics
|
August 24, 2020
Difference projection-after-variation double-hybrid density functional theory applied to the calculation of vertical excitation energies
Emily M Kempfer-Robertson, Thomas Dane Pike, Lee M Thompson
The Journal of Physical Chemistry. A
|
January 16, 2025
Distance and Orientation Dependence of Triplet-Triplet Energy Transfer Couplings Based on Nonorthogonal Multireference Wave Functions
Saptarshi Saha, Megan J Mackintosh, Lee M Thompson, et al.
The Journal of Chemical Physics
|
February 3, 2025
Electronic structures and spin frustration in Ln3O (Ln = Ce, Sm, Gd) neutrals and anions determined by anion photoelectron spectroscopy
Caleb D Huizenga, Shivangi Vaish, Lee M Thompson, et al.
Chemical Communications (Cambridge, England)
|
February 18, 2026
Computational modeling of triplet energy transfer processes: progress and future challenges
Lee M Thompson, Megan J Mackintosh, Saptarshi Saha, et al.
The Journal of Chemical Physics
|
February 10, 2025
Photoelectron-remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events
Adam M Kinyua, Hrant P Hratchian, Caroline C Jarrold, et al.
Page
of 4