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Multidimensional scan tmole
Started by acapobia |
1 Replies
10542 Views |
December 15, 2010, 04:56:31 PMby sprkm |
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Frequency calculation at MP2
Started by Arrepiadd |
2 Replies
9666 Views |
April 07, 2008, 01:29:11 PM by Arrepiadd |
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1 Replies
10181 Views |
September 17, 2009, 02:32:11 PM by uwe |
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BSSE in Tmole
Started by idet2 |
0 Replies
6153 Views |
April 08, 2009, 02:43:27 AM by idet2 |
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TMole Scan Problem
Started by idet2 |
0 Replies
6640 Views |
June 30, 2009, 11:45:55 AM by idet2 |
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Create Scan Directories
Started by idet2 |
0 Replies
6216 Views |
April 08, 2009, 04:04:26 PM by idet2 |
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usding TMOLE script and CC2
Started by janwahl |
0 Replies
9481 Views |
September 12, 2011, 12:46:30 PM by janwahl |
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uks in tmole
Started by jbaltrus |
1 Replies
6948 Views |
June 17, 2009, 02:40:23 AM by jbaltrus |
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1 Replies
7733 Views |
June 06, 2009, 01:07:55 AM by jbaltrus |
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dscf problem
Started by kadlubanski |
3 Replies
7792 Views |
May 11, 2013, 08:44:44 PM by antti_karttunen |
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TMOLe mixed basis set
Started by kiranb |
0 Replies
4149 Views |
April 20, 2018, 09:09:19 PM by kiranb |
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1 Replies
802 Views |
October 27, 2020, 05:09:15 PM by uwe |
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Dummy atom
Started by olehtone |
5 Replies
16265 Views |
March 21, 2007, 03:47:03 PM by lsikk |
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cosmo in tmole?
Started by timomaria |
1 Replies
9186 Views |
June 06, 2009, 01:08:20 AM by jbaltrus |
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How can i run Tmole?????????????????????
Started by wanchem |
0 Replies
7563 Views |
February 15, 2010, 10:41:14 AM by wanchem |
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t2x problems..
Started by willows9803 |
3 Replies
11261 Views |
March 06, 2008, 03:28:40 PM by Arnim |
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PES scans while keeping some atoms fixed
Started by wwwups |
2 Replies
11669 Views |
December 17, 2013, 09:03:01 PM by uwe |
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