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RSS Feeds[ASAP] Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set (Journal of Chemical Theory and Computation)

 
 

28 january 2020 20:00:18

 
[ASAP] Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set (Journal of Chemical Theory and Computation)
 


Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01080


 
214 viewsCategory: Chemistry
 
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[ASAP] Preserving the Exposed Facets of Pt3Sn Intermetallic Nanocubes During an Order to Disorder Transition Allows the Elucidation of the Effect of the Degree of Alloy Ordering on Electrocatalysis (Journal of the American Chemical Society)
 
 
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