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UFF atom types
Started by hmsenn |
1 Replies
11946 Views |
August 07, 2007, 05:21:14 PMby uwe |
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cartesian coordinates
Started by Jandir |
2 Replies
9909 Views |
November 25, 2013, 03:10:35 AM by Jandir |
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2 Replies
16522 Views |
April 24, 2008, 04:57:05 PM by bademoor |
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How to do a NEB calculation
Started by ym21d@fsu.edu |
2 Replies
7322 Views |
June 04, 2024, 07:48:12 PM by ym21d@fsu.edu |
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2 Replies
13223 Views |
February 13, 2019, 09:17:34 PM by Desang |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
10669 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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spin contrained UHF calculations.
Started by topherson |
2 Replies
12341 Views |
September 03, 2015, 12:20:05 PM by topherson |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
10061 Views |
June 22, 2023, 03:38:22 PM by Amin |
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Running COSMO in TURBOMOLE...
Started by willows9803 |
2 Replies
14722 Views |
January 28, 2008, 02:40:00 PM by willows9803 |
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2 Replies
11030 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
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2 Replies
12544 Views |
May 10, 2007, 11:01:08 PM by turbomaster |
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Some question about basis set
Started by manyu |
2 Replies
20445 Views |
April 23, 2007, 05:54:34 PM by uwe |
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Maximum number of atoms
Started by mike |
2 Replies
12896 Views |
March 09, 2018, 11:07:42 AM by uwe |
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potential surface scan
Started by saikat403 |
2 Replies
12670 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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Huge Binaries
Started by idet2 |
2 Replies
10454 Views |
June 30, 2009, 08:43:15 AM by idet2 |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
11598 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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SDD basis set
Started by genneth9 |
2 Replies
16777 Views |
March 20, 2013, 10:22:07 AM by Arnim |
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diffuse basis set
Started by Turboooo |
2 Replies
10181 Views |
March 15, 2013, 05:47:50 PM by Turboooo |
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Frozen coordinates
Started by idet2 |
3 Replies
15272 Views |
November 19, 2007, 05:17:24 PM by idet2 |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
17170 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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