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acetic acid dimer
Closed | Responses: 1
I need help coming up with the corrdinates for acetic acid dimer... i tried this: in cs C1 6(-3,1,0) H1 1(-3,2,0) H1 1(-3,0,0) H1 1(-4,1,0) C2 6(-2,1,0) O3 8(-1,2,0) O4 8(-1,0,0) H4 …
Since November 2004, Baudilio Tejerina manages the computer facilities of the Theory Group in the Department of Chemistry at Northwestern University. After receiving his PhD in Physical …
Saving/Exporting Data from QC-Lab to my computer?
Is there a way to save/export the data from the virtual machine (or whatever it is) on the nanoHUB servers to my computer? Specifically, I want to get the coordinates for my optimized geometry out …
WHAT IS THE INPUT FORMAT FOR QC LAB?
Why Gamess is not accepting user defined gaussian basis?
Open | Responses: 1
1. GAMESS fails to converge the gaussian 2003 output geometry- ESPECIALLY IN THE CASE OF TRANSITION METAL COMPLEXES! 2. At this site I could not use LANL2DZ or CRENBL ECP basis set. Any one would …
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