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RSS Feeds[ASAP] Constructing Molecular p-Orbital Active Spaces for Multireference Calculations of Conjugated Systems (Journal of Chemical Theory and Computation)

 
 

19 february 2019 00:00:14

 
[ASAP] Constructing Molecular p-Orbital Active Spaces for Multireference Calculations of Conjugated Systems (Journal of Chemical Theory and Computation)
 
Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.8b01196


 
77 viewsCategory: Chemistry
 
[ASAP] Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework (Journal of Chemical Theory and Computation)
[ASAP] The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up (Journal of Chemical Theory and Computation)
 
 
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