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Running COSMO in TURBOMOLE...
Started by willows9803 |
2 Replies
29015 Views |
January 28, 2008, 02:40:00 PMby willows9803 |
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Basis set or method for Fe complex
Started by methane |
1 Replies
29469 Views |
March 14, 2007, 07:44:13 AM by antti_karttunen |
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2 Replies
29501 Views |
May 10, 2007, 11:01:08 PM by turbomaster |
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1 Replies
29630 Views |
May 24, 2024, 08:30:43 PM by ym21d@fsu.edu |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
29874 Views |
June 22, 2023, 03:38:22 PM by Amin |
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diffuse function for def2- basis set
Started by Marisa |
3 Replies
30507 Views |
January 11, 2009, 01:01:18 PM by christof.haettig |
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3 Replies
30677 Views |
May 01, 2023, 07:39:51 PM by uwe |
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2 Replies
30774 Views |
April 24, 2008, 04:57:05 PM by bademoor |
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Ecp for Cu atom
Started by lsikk |
1 Replies
31148 Views |
March 22, 2007, 09:13:03 PM by antti_karttunen |
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Frozen coordinates
Started by idet2 |
3 Replies
31647 Views |
November 19, 2007, 05:17:24 PM by idet2 |
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tm2molden in v.5.9
Started by Tobias_S |
3 Replies
32134 Views |
May 30, 2007, 09:29:22 PM by uwe |
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8 Replies
32577 Views |
March 05, 2014, 11:02:47 AM by hannesb |
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mos file: AO basis function order and norm?
Started by Jonas |
4 Replies
32750 Views |
December 10, 2015, 04:02:45 PM by uwe |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
32885 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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5 Replies
34653 Views |
May 27, 2009, 11:51:14 AM by christof.haettig |
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joining coord files
Started by ym21d@fsu.edu |
3 Replies
35805 Views |
June 04, 2024, 09:32:02 PM by antti_karttunen |
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freeh - entropy
Started by foea |
6 Replies
36847 Views |
September 01, 2016, 03:12:37 PM by mpjohans |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
36885 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
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Some question about basis set
Started by manyu |
2 Replies
37782 Views |
April 23, 2007, 05:54:34 PM by uwe |
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Problem with AOMix
Started by mwoch |
7 Replies
37878 Views |
July 08, 2016, 11:24:08 AM by riteshruhela |
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