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The Journal of Chemical Physics
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December 12, 2023
Δ-based composite models for calculating x-ray absorption and emission energies
Abdulrahman Y Zamani, Hrant P Hratchian
The Journal of Chemical Physics
|
September 1, 2022
Assessing the performance of ΔSCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies
Abdulrahman Y Zamani, Hrant P Hratchian
The Journal of Chemical Physics
|
March 25, 2010
ONIOM-based QM:QM electronic embedding method using Löwdin atomic charges: energies and analytic gradients
Nicholas J Mayhall, Krishnan Raghavachari, Hrant P Hratchian
The Journal of Chemical Physics
|
June 3, 2016
Natural ionization orbitals for interpreting electron detachment processes
Lee M Thompson, Hassan Harb, Hrant P Hratchian
The Journal of Physical Chemistry. A
|
July 15, 2021
Lanthanide Oxides: From Diatomics to High-Spin, Strongly Correlated Homo- and Heterometallic Clusters
Caleb Huizenga, Hrant P Hratchian, Caroline Chick Jarrold
The Journal of Physical Chemistry. A
|
April 4, 2024
Tribute to Krishnan Raghavachari
Hrant P Hratchian, Amir Karton, Nicholas J Mayhall
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
Angewandte Chemie (International Ed. in English)
|
December 15, 2015
The Strongest Acid: Protonation of Carbon Dioxide
Steven Cummings, Hrant P Hratchian, Christopher A Reed
The Journal of Chemical Physics
|
December 3, 2008
Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic charges
Priya V Parandekar, Hrant P Hratchian, Krishnan Raghavachari
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2019
On the linear geometry of lanthanide hydroxide (Ln-OH, Ln = La-Lu)
Hassan Harb, Lee M Thompson, Hrant P Hratchian
Page
of 6
Search research articles
Search
Showing results (11-20 of 58) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
December 12, 2023
Δ-based composite models for calculating x-ray absorption and emission energies
Abdulrahman Y Zamani, Hrant P Hratchian
The Journal of Chemical Physics
|
September 1, 2022
Assessing the performance of ΔSCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies
Abdulrahman Y Zamani, Hrant P Hratchian
The Journal of Chemical Physics
|
March 25, 2010
ONIOM-based QM:QM electronic embedding method using Löwdin atomic charges: energies and analytic gradients
Nicholas J Mayhall, Krishnan Raghavachari, Hrant P Hratchian
The Journal of Chemical Physics
|
June 3, 2016
Natural ionization orbitals for interpreting electron detachment processes
Lee M Thompson, Hassan Harb, Hrant P Hratchian
The Journal of Physical Chemistry. A
|
July 15, 2021
Lanthanide Oxides: From Diatomics to High-Spin, Strongly Correlated Homo- and Heterometallic Clusters
Caleb Huizenga, Hrant P Hratchian, Caroline Chick Jarrold
The Journal of Physical Chemistry. A
|
April 4, 2024
Tribute to Krishnan Raghavachari
Hrant P Hratchian, Amir Karton, Nicholas J Mayhall
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
Angewandte Chemie (International Ed. in English)
|
December 15, 2015
The Strongest Acid: Protonation of Carbon Dioxide
Steven Cummings, Hrant P Hratchian, Christopher A Reed
The Journal of Chemical Physics
|
December 3, 2008
Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic charges
Priya V Parandekar, Hrant P Hratchian, Krishnan Raghavachari
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2019
On the linear geometry of lanthanide hydroxide (Ln-OH, Ln = La-Lu)
Hassan Harb, Lee M Thompson, Hrant P Hratchian
Page
of 6