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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3264 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5352 Dec 14th 2:51 pm
Edoapra

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Dimension msa too small
Started By : Guest -
1 2294 Aug 19th 3:05 pm
Bert
run DFT using ROHF wavefunctions
Started By : Guest -
1 2528 Aug 18th 6:16 am
Niri
Installing ECCE Client
Started By : Guest -
1 2161 Aug 16th 1:55 pm
Bert
How/where can I get a pdf copy of the user' manual/programmer's guide for NWChem 6.0
Started By : Guest -
1 2522 Aug 2nd 5:03 pm
Bert
Excited state calculation
Started By : Rand
2 1982 Aug 2nd 5:03 pm
Niri
eastimaed standard error in QM/MM free energy perturbation method
Started By : Guest -
1 2606 Aug 2nd 5:02 pm
Bert
to generate topology file for qmmm
Started By : Guest -
2 2131 Aug 2nd 5:01 pm
Bert
vdW parameter unit for NWCHEM
Started By : Yt82
1 2056 Aug 2nd 5:00 pm
Bert
nwchem hangs before dft scf
Started By : Pvallett
2 2331 Aug 2nd 4:52 pm
Bert
Ionization potential of Pd using ECP28MDF
Started By : Brynetan
4 2651 Jul 21st 7:47 pm
Brynetan
qmmm free energies
Started By : Guest -
3 2353 Jul 20th 5:38 pm
Marat
what is the unit of "oscillator strength"
Started By : Guest -
1 7467 Jul 7th 12:16 pm
Guest -
"too many files open" error
Started By : Matrix2010
1 2941 Jul 6th 3:14 pm
Bert
ROMP2 calculation
Started By : Guest -
1 2360 Jul 6th 3:10 pm
Bert
read basis set
Started By : Guest -
3 3717 Jul 6th 3:07 pm
Bert
QM/MM with no MM parameters
Started By : TeoT
2 1962 Jul 1st 12:39 am
TeoT
Calculating Energies and Enthalpies
Started By : Guest -
1 6291 Jun 28th 10:23 am
Guest -
ECP60MDF
Started By : Brynetan
7 4816 Jun 22nd 2:17 pm
Guest -
Question about ONIOM/QMMM
Started By : Guest -
0 2062 Jun 21st 2:35 pm
Guest -
qmmm dynamics
Started By : Guest -
3 2066 Jun 17th 10:21 pm
Guest -
How to convert AMBER(xleap) format atom name to NW amber format
Started By : Xiaosy567
1 3359 Jun 17th 9:20 am
Marat
qmmm free energies
Started By : Guest -
3 2152 Jun 13th 9:36 am
Guest -
SODFT frequencies
Started By : Guest -
1 2417 Jun 8th 5:35 pm
Niri
Question about qmmm calcualtions
Started By : Yt82
1 1961 Jun 1st 11:44 am
Marat
Starting a thread
Started By : Apacheco
7 3346 May 11th 1:55 pm
Bert

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