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b3pw91

Showing posts with label b3pw91. Show all posts

Showing posts with label b3pw91. Show all posts

561. b3pw91 in nwchem and g09

b3pw91 gaussian g09 nwchem

561. b3pw91 in nwchem and g09

March 03, 2014 Add Comment

UPDATE: there was an error in the earlier version where I gave the wrong energy for the b3pw91 functional in nwchem. In the old version the...

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