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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
7106 Views |
June 01, 2017, 01:46:39 PMby evgeniy |
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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
7869 Views |
April 07, 2008, 10:26:25 AM by Arnim |
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1 Replies
5354 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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0 Replies
5562 Views |
August 20, 2018, 02:03:21 PM by evgeniy |
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4 Replies
7882 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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5 Replies
8608 Views |
September 10, 2018, 09:45:45 PM by uwe |
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2 Replies
7439 Views |
June 03, 2008, 10:26:34 AM by evgeniy |
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2 Replies
4119 Views |
August 11, 2021, 11:01:09 AM by fedor |
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2 Replies
7705 Views |
April 15, 2008, 07:19:17 PM by FKoehler |
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2 Replies
9151 Views |
August 30, 2016, 02:11:44 PM by footballplayer |
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0 Replies
6837 Views |
March 10, 2017, 05:09:40 PM by footballplayer |
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heavy atoms without ecp
Started by fru14909 |
4 Replies
7427 Views |
March 02, 2021, 12:31:33 PM by Scoops |
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Bug in damp within DEFINE script?
Started by Glxblt76 |
2 Replies
6976 Views |
April 02, 2019, 07:06:17 AM by Glxblt76 |
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define on Windows
Started by Glxblt76 |
1 Replies
5000 Views |
June 06, 2020, 03:00:41 PM by uwe |
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frozen core and full core calculations
Started by golden |
4 Replies
7852 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5645 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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Cerium ECP with 46 core electrons
Started by gpetrova |
4 Replies
8894 Views |
September 27, 2010, 03:51:51 PM by gpetrova |
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Diabatic calculation
Started by greisen |
0 Replies
4767 Views |
March 21, 2011, 03:14:35 PM by greisen |
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Fragment Multiplicity
Started by Ian K |
0 Replies
5394 Views |
August 17, 2010, 10:21:44 PM by Ian K |
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CAM-B3LYP IN TURBOMOLE 7.0
Started by inozerox |
2 Replies
6076 Views |
October 07, 2015, 08:09:15 PM by inozerox |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
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