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cartesian coordinates
Started by Jandir |
2 Replies
4926 Views |
November 25, 2013, 03:10:35 AMby Jandir |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
5726 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
6531 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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2 Replies
6709 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
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2 Replies
11396 Views |
April 24, 2008, 04:57:05 PM by bademoor |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
3026 Views |
June 22, 2023, 03:38:22 PM by Amin |
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Running COSMO in TURBOMOLE...
Started by willows9803 |
2 Replies
9101 Views |
January 28, 2008, 02:40:00 PM by willows9803 |
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2 Replies
7156 Views |
May 10, 2007, 11:01:08 PM by turbomaster |
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Some question about basis set
Started by manyu |
2 Replies
14583 Views |
April 23, 2007, 05:54:34 PM by uwe |
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2 Replies
8038 Views |
February 13, 2019, 09:17:34 PM by Desang |
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SDD basis set
Started by genneth9 |
2 Replies
11770 Views |
March 20, 2013, 10:22:07 AM by Arnim |
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diffuse basis set
Started by Turboooo |
2 Replies
5323 Views |
March 15, 2013, 05:47:50 PM by Turboooo |
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spin contrained UHF calculations.
Started by topherson |
2 Replies
7155 Views |
September 03, 2015, 12:20:05 PM by topherson |
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potential surface scan
Started by saikat403 |
2 Replies
6377 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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Maximum number of atoms
Started by mike |
2 Replies
7984 Views |
March 09, 2018, 11:07:42 AM by uwe |
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Huge Binaries
Started by idet2 |
2 Replies
6224 Views |
June 30, 2009, 08:43:15 AM by idet2 |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
11726 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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BSSE calculations
Started by juanjo |
3 Replies
8279 Views |
September 20, 2012, 03:46:10 PM by uwe |
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Peptide geometry optimization
Started by dusan |
3 Replies
5229 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
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3 Replies
2998 Views |
May 01, 2023, 07:39:51 PM by uwe |
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