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IRC calculations
Started by cml |
1 Replies
18517 Views |
January 16, 2014, 01:23:14 PMby Arnim |
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how to run JOBBSSE
Started by ok |
1 Replies
20108 Views |
June 15, 2009, 02:04:36 PM by christof.haettig |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
29873 Views |
June 22, 2023, 03:38:22 PM by Amin |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
25215 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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Running COSMO in TURBOMOLE...
Started by willows9803 |
2 Replies
29013 Views |
January 28, 2008, 02:40:00 PM by willows9803 |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
24342 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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How to do a NEB calculation
Started by ym21d@fsu.edu |
2 Replies
27644 Views |
June 04, 2024, 07:48:12 PM by ym21d@fsu.edu |
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2 Replies
18459 Views |
June 23, 2025, 05:01:52 PM by avsfan92 |
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cartesian coordinates
Started by Jandir |
2 Replies
18601 Views |
November 25, 2013, 03:10:35 AM by Jandir |
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potential surface scan
Started by saikat403 |
2 Replies
27268 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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2 Replies
27209 Views |
February 13, 2019, 09:17:34 PM by Desang |
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2 Replies
30770 Views |
April 24, 2008, 04:57:05 PM by bademoor |
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Huge Binaries
Started by idet2 |
2 Replies
21998 Views |
June 30, 2009, 08:43:15 AM by idet2 |
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2 Replies
19700 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
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Some question about basis set
Started by manyu |
2 Replies
37780 Views |
April 23, 2007, 05:54:34 PM by uwe |
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2 Replies
29501 Views |
May 10, 2007, 11:01:08 PM by turbomaster |
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diffuse basis set
Started by Turboooo |
2 Replies
16263 Views |
March 15, 2013, 05:47:50 PM by Turboooo |
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SDD basis set
Started by genneth9 |
2 Replies
23171 Views |
March 20, 2013, 10:22:07 AM by Arnim |
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Maximum number of atoms
Started by mike |
2 Replies
26682 Views |
March 09, 2018, 11:07:42 AM by uwe |
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spin contrained UHF calculations.
Started by topherson |
2 Replies
21558 Views |
September 03, 2015, 12:20:05 PM by topherson |
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