Tags: tool:qclab

Questions & Answers (1-4 of 4)

  1. 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...

    http://nanohub.org/answers/question/1001

  2. Saving/Exporting Data from QC-Lab to my computer?

    Closed | Responses: 1

    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...

    http://nanohub.org/answers/question/801

  3. WHAT IS THE INPUT FORMAT FOR QC LAB?

    Closed | Responses: 1

    http://nanohub.org/answers/question/800

  4. 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...

    http://nanohub.org/answers/question/155