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Displaying 11 results for: Alessandro.chiesa Topics
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Thread Title Replies Views Last Action Forum
Convergence problems with Au cluster1 2
Started By : Alessandro.chiesa
17 2129 Sep 9th 7:06 pm
Xiongyan21
Running NWChem
Problems in compiling NWChem
Started By : Alessandro.chiesa
14 1456 Nov 29th 7:25 am
Alessandro.chiesa
Compiling NWChem
Adding a charge to a DFT calculation
Started By : Alessandro.chiesa
2 1648 May 7th 4:03 am
Dot matrix madness
NWChem functionality
Geometry optimization
Started By : Alessandro.chiesa
0 809 Apr 2nd 5:42 am
Alessandro.chiesa
NWChem functionality
Molecules with odd number of electrons
Started By : Alessandro.chiesa
0 762 Apr 1st 10:57 pm
Alessandro.chiesa
NWChem functionality
Constrained DFT
Started By : Alessandro.chiesa
1 1602 Nov 12th 9:35 am
Edoapra
NWChem functionality
Basis projection
Started By : Alessandro.chiesa
6 2033 Oct 14th 9:27 am
Edoapra
NWChem functionality
Plot atomic orbitals
Started By : Alessandro.chiesa
2 1428 Jun 7th 12:31 am
Alessandro.chiesa
NWChem functionality
Plotting orbitals
Started By : Alessandro.chiesa
5 5018 Dec 5th 10:14 am
Bert
NWChem functionality
Foster-Boys Orbital Localization
Started By : Alessandro.chiesa
3 3293 Sep 6th 8:46 am
Bert
NWChem functionality
Convert NWChem output to GAMESS
Started By : Alessandro.chiesa
1 2070 Sep 6th 8:39 am
Bert
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