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D3 Dispersion corrections to gradients
Started by 175116 |
3 Replies
11353 Views |
October 19, 2011, 03:08:49 PMby uwe |
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D3 Dispersion correction
Started by 175116 |
1 Replies
8235 Views |
October 17, 2011, 06:52:36 PM by 175116 |
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5 Replies
15589 Views |
May 27, 2009, 11:51:14 AM by christof.haettig |
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Evib module question
Started by akolio |
1 Replies
7683 Views |
October 24, 2022, 02:42:10 PM by akolio |
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electrostatic field
Started by Aleksandar Staykov |
0 Replies
8660 Views |
January 12, 2020, 04:08:57 PM by Aleksandar Staykov |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
8299 Views |
June 22, 2023, 03:38:22 PM by Amin |
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0 Replies
8942 Views |
November 27, 2007, 10:06:09 AM by antti_karttunen |
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Few comments on Turbomole 5.10
Started by antti_karttunen |
1 Replies
9525 Views |
January 30, 2008, 03:32:49 PM by uwe |
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2 Replies
14799 Views |
April 24, 2008, 04:57:05 PM by bademoor |
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5 Replies
12464 Views |
February 11, 2015, 11:36:37 PM by cediev87 |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
10074 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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0 Replies
10457 Views |
July 13, 2020, 06:51:56 PM by chris.hol |
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cbas for lanthanides
Started by ChristophM |
0 Replies
7174 Views |
November 19, 2013, 09:14:02 AM by ChristophM |
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IRC calculations
Started by cml |
1 Replies
9359 Views |
January 16, 2014, 01:23:14 PM by Arnim |
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2 Replies
9433 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
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2 Replies
11696 Views |
February 13, 2019, 09:17:34 PM by Desang |
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Peptide geometry optimization
Started by dusan |
3 Replies
8826 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
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CCSD for excited states in TM 6.4 ???
Started by evgeniy |
0 Replies
7521 Views |
September 05, 2012, 01:18:48 PM by evgeniy |
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1 Replies
10088 Views |
May 31, 2013, 01:43:53 PM by Turboooo |
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