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2 Replies
7223 Views |
October 27, 2009, 04:05:44 PMby evgeniy |
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Simulated Annealing
Started by Gopakumar |
2 Replies
9937 Views |
April 12, 2007, 01:11:31 PM by Gopakumar |
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metastase
Started by Matteo Guglielmi |
2 Replies
9700 Views |
February 27, 2009, 02:51:35 AM by Matteo Guglielmi |
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Doubts with Molecular Orbitals
Started by inozerox |
3 Replies
6736 Views |
April 02, 2016, 02:54:53 PM by inozerox |
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3 Replies
7562 Views |
March 26, 2019, 10:06:34 AM by uwe |
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3 Replies
9565 Views |
October 06, 2016, 06:01:46 PM by christof.haettig |
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3 Replies
7402 Views |
October 26, 2011, 02:49:23 PM by Ian K |
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3 Replies
9645 Views |
May 16, 2012, 12:38:48 PM by antti_karttunen |
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finding saddle points with jobex -trans
Started by lsikk |
3 Replies
12057 Views |
May 01, 2007, 11:34:27 AM by antti_karttunen |
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CC2 optimizations and bond lengths
Started by wilhelm |
3 Replies
9895 Views |
November 18, 2010, 05:55:04 PM by christof.haettig |
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IRC (internal reaction coordinate)
Started by jbaltrus |
3 Replies
6568 Views |
March 17, 2012, 07:22:43 PM by Arnim |
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Error in gradient step
Started by marand |
4 Replies
12941 Views |
November 17, 2016, 05:31:26 PM by christof.haettig |
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4 Replies
7632 Views |
December 29, 2014, 09:23:44 PM by uwe |
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4 Replies
15064 Views |
January 24, 2007, 02:32:39 AM by someseesee |
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how to stop the calculation
Started by golden |
4 Replies
10220 Views |
January 24, 2012, 04:50:47 PM by golden |
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5 Replies
14603 Views |
April 17, 2012, 02:42:39 PM by antti_karttunen |
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5 Replies
9918 Views |
March 07, 2012, 02:22:23 PM by antti_karttunen |
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Excited state optimization
Started by Beverly |
5 Replies
13070 Views |
July 24, 2010, 06:29:00 AM by jbaltrus |
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jobex results in molecule rotation
Started by luyj |
5 Replies
8768 Views |
September 07, 2016, 04:43:02 PM by uwe |
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DFT+D geometry optimization
Started by lyzhu |
5 Replies
11613 Views |
November 05, 2009, 08:36:33 PM by dlchen |
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