General BSE Topics

Announcement's Replies Views Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 252Next 25Last
Thread Title Replies Views Last Action
cc-PVTZ in Mn,P compatible to cc-PVTZ-pp?
0 893 Mar 22nd 4:36 am
Sparks
def2-QZVP basis set discrepancy in the BSE PNNL compared with the COSMOLOGIC basis set repository
1 1039 Nov 16th 4:41 pm
Edoapra
Difficulties uploading basis sets to the BSE
4 1060 Nov 3rd 4:36 pm
Aoterodelaroza
Pople 2d basis sets
2 1155 Jul 27th 9:52 am
Niki
Pople basis sets in NWChem 6.6
4 1553 May 12th 10:00 am
Mintmire
different basis set by list of atoms
2 2071 Apr 12th 12:54 pm
Marcel
quick question RE:Spin-orbit ECPs (Stuttgart)
1 1301 Mar 13th 12:34 pm
Edoapra
Basis set references in the BSE
1 1388 Oct 24th 3:29 pm
Edoapra
redundant cc-pVDZ-DK3 basis sets for lanthanides
1 1342 Oct 14th 3:40 pm
Edoapra
Double Upload
2 1635 Aug 3rd 6:41 am
DanielAravena
Uploading basis sets
1 1374 Jul 11th 10:09 am
Edoapra
format problem of MOLCAS with ECP
0 1555 Jun 21st 1:52 am
Zork
cc-pwCVXZ-DK for 2p and 3p block
0 1354 Jun 14th 8:31 am
Yjiao03
Basis set descriptions disappeared
1 2024 Dec 27th 5:55 am
Grandrienko
Web services and/or database access
2 1354 Dec 8th 1:37 pm
Avirshup
missing ccpv basis sets
0 1956 Oct 30th 11:45 am
Edoapra
Ni ANO-RCC
4 2010 Sep 17th 12:41 pm
PrimeFan
cc-pVXZ basis sets
0 2047 Aug 13th 10:08 am
Cmk
6-311G basis set for transition metals
3 3472 Jun 17th 12:20 pm
Mernst
Uploading_sets_error
2 29462 May 27th 3:20 am
Tteodoro
cc-pCV6Z for 2nd row (Al-Ar) in error
13 1838 Apr 14th 7:59 am
Kipeters
misnamed elements in CRENBL ECP basis set
0 2756 Mar 4th 2:42 am
Mernst
hydrogen in aug-cc-pCV5Z
0 2179 Mar 4th 2:32 am
Mernst
basis set with spherical/Cartesian information
2 3389 Feb 25th 4:47 am
Ahmad.ziaee
def2-QZVP and above
0 2932 Feb 4th 7:07 am
Alexbalboa

Forum >> BSE: Basis Set Exchange >> General BSE Topics
Jump to page 1Prev 252Next 25Last