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finding ehtdata in a local basis library
Started by jmb |
1 Replies
10546 Views |
April 06, 2011, 03:40:51 PMby uwe |
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1 Replies
9893 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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1 Replies
11469 Views |
December 07, 2011, 10:04:35 AM by flabia |
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how to do optimization with out symmetry
Started by golden |
1 Replies
10155 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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problem in ired
Started by jitmukherjeechem |
3 Replies
13257 Views |
May 22, 2012, 09:55:54 AM by Arnim |
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3 Replies
12214 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
9098 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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How can i read SCF vector
Started by tayed |
6 Replies
14491 Views |
November 06, 2012, 10:59:14 AM by Sam483 |
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The use command
Started by Sam483 |
2 Replies
10707 Views |
January 15, 2013, 12:09:47 PM by Arnim |
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0 Replies
9207 Views |
February 04, 2013, 10:34:29 AM by andy |
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gridsize and scfconv
Started by mboehme |
1 Replies
11117 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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frozen core and full core calculations
Started by golden |
4 Replies
13229 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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error in basis set library for Mn
Started by mradon |
0 Replies
9923 Views |
August 01, 2013, 11:57:47 AM by mradon |
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Auxilary (cbas
Started by evgeniy |
1 Replies
9630 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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2 Replies
10927 Views |
July 16, 2014, 11:12:11 AM by evgeniy |
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start mos without define
Started by tmartin |
1 Replies
9762 Views |
September 23, 2014, 02:08:00 PM by Arnim |
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1 Replies
9792 Views |
February 16, 2015, 02:29:57 PM by uwe |
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BmBt matrix
Started by acapobia |
0 Replies
9274 Views |
February 18, 2015, 10:07:15 AM by acapobia |
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CAM-B3LYP IN TURBOMOLE 7.0
Started by inozerox |
2 Replies
10886 Views |
October 07, 2015, 08:09:15 PM by inozerox |
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0 Replies
8777 Views |
October 30, 2015, 05:42:15 AM by yuniawan |
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