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Displaying 13 results for: Mhiranya Topics

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Thread Title	Replies	Views	Last Action	Forum
SMD (Solvation Model Based on Density) Model Started By : Mhiranya	6	662	Mar 2nd 7:49 pm Mhiranya	General Topics
NEB Error Started By : Mhiranya	1	265	Dec 26th 9:55 am Mhiranya	Running NWChem
problem using def2-sv(p) basis Started By : Mhiranya	2	401	Oct 14th 9:07 am Edoapra	General Topics
Restarting an ONIOM optimization and frequency calculation Started By : Mhiranya	0	881	Jul 21st 6:02 am Mhiranya	QMMM
Running ONIOM Started By : Mhiranya	2	996	Jul 10th 8:04 pm Mhiranya	QMMM
How to calculate the free energy from the nwchem output file Started By : Mhiranya	2	506	Apr 25th 8:34 am Mhiranya	General Topics
APPLICATION TERMINATED WITH THE EXIT STRING.... Started By : Mhiranya	1	756	Apr 8th 7:11 pm Huub	General Topics
"sym_geom_project: sym_center_map is inconsistent with requested accuracy" Error Started By : Mhiranya	3	648	Mar 15th 9:36 am Mhiranya	Running NWChem
dft optimization failed Started By : Mhiranya	1	487	Mar 12th 10:08 am Mhiranya	General Topics
Job not completed.. Started By : Mhiranya	1	558	Feb 7th 12:48 pm Edoapra	General Topics
How to calculate the Free energy Started By : Mhiranya	0	501	Feb 2nd 3:55 pm Mhiranya	General Topics
How to do transition state calculations using nwchem... Started By : Mhiranya	2	656	Jan 30th 1:49 pm Mhiranya	General Topics
Convergence problem... Started By : Mhiranya	7	854	Jan 23rd 9:50 pm Mhiranya	General Topics

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