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Journal of Chemical Theory and Computation
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December 7, 2017
Analytic Gradients for Complete Active Space Pair-Density Functional Theory
Andrew M Sand, Chad E Hoyer, Kamal Sharkas, et al.
The Journal of Chemical Physics
|
February 20, 2021
Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states
Thais R Scott, Meagan S Oakley, Matthew R Hermes, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 14) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 14 results.
Journal of Chemical Theory and Computation
|
December 7, 2017
Analytic Gradients for Complete Active Space Pair-Density Functional Theory
Andrew M Sand, Chad E Hoyer, Kamal Sharkas, et al.
The Journal of Chemical Physics
|
February 20, 2021
Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states
Thais R Scott, Meagan S Oakley, Matthew R Hermes, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
Page
of 2