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Journal of Chemical Theory and Computation
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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.
The Journal of Physical Chemistry Letters
|
May 14, 2025
Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy
Kaila E Weflen, Megan R Bentley, James H Thorpe, et al.
The Journal of Chemical Physics
|
June 8, 2020
Coupled-cluster techniques for computational chemistry: The CFOUR program package
Devin A Matthews, Lan Cheng, Michael E Harding, et al.
Journal of Chemical Theory and Computation
|
February 24, 2018
Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde
W James Morgan, Devin A Matthews, Magnus Ringholm, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Page
of 5
Search research articles
Search
Showing results (41-50 of 45) with videos related to
Sort By:
Page
of 5
You have reached the last page of results.
This site can display upto 45 results.
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.
The Journal of Physical Chemistry Letters
|
May 14, 2025
Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy
Kaila E Weflen, Megan R Bentley, James H Thorpe, et al.
The Journal of Chemical Physics
|
June 8, 2020
Coupled-cluster techniques for computational chemistry: The CFOUR program package
Devin A Matthews, Lan Cheng, Michael E Harding, et al.
Journal of Chemical Theory and Computation
|
February 24, 2018
Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde
W James Morgan, Devin A Matthews, Magnus Ringholm, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Page
of 5