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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
56619 Views |
April 07, 2008, 10:26:25 AMby Arnim |
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2 Replies
58152 Views |
June 03, 2008, 10:26:34 AM by evgeniy |
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1 Replies
44501 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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4 Replies
69022 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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0 Replies
62458 Views |
August 20, 2018, 02:03:21 PM by evgeniy |
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2 Replies
68791 Views |
September 15, 2021, 04:42:41 PM by uwe |
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5 Replies
79910 Views |
September 10, 2018, 09:45:45 PM by uwe |
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Auxilary (cbas
Started by evgeniy |
1 Replies
67098 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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2 Replies
53334 Views |
July 16, 2014, 11:12:11 AM by evgeniy |
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Using flip to define a biradical orbital
Started by fcdestro |
4 Replies
58816 Views |
December 01, 2025, 10:09:02 AM by fcdestro |
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2 Replies
76743 Views |
August 11, 2021, 11:01:09 AM by fedor |
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2 Replies
60199 Views |
April 15, 2008, 07:19:17 PM by FKoehler |
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2 Replies
55896 Views |
August 30, 2016, 02:11:44 PM by footballplayer |
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0 Replies
41796 Views |
March 10, 2017, 05:09:40 PM by footballplayer |
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heavy atoms without ecp
Started by fru14909 |
4 Replies
77366 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
60989 Views |
April 02, 2019, 07:06:17 AM by Glxblt76 |
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define on Windows
Started by Glxblt76 |
1 Replies
65539 Views |
June 06, 2020, 03:00:41 PM by uwe |
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how to do optimization with out symmetry
Started by golden |
1 Replies
55163 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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frozen core and full core calculations
Started by golden |
4 Replies
61613 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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Cerium ECP with 46 core electrons
Started by gpetrova |
4 Replies
63846 Views |
September 27, 2010, 03:51:51 PM by gpetrova |
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