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0 Replies
5666 Views |
July 13, 2020, 06:51:56 PMby chris.hol |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
3030 Views |
June 22, 2023, 03:38:22 PM by Amin |
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Jobbsse Problem
Started by idet2 |
0 Replies
4689 Views |
June 26, 2009, 08:54:44 AM by idet2 |
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1 Replies
4644 Views |
December 18, 2015, 10:41:45 AM by christof.haettig |
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IRC calculations
Started by cml |
1 Replies
6071 Views |
January 16, 2014, 01:23:14 PM by Arnim |
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internal reaction coordinate
Started by jbaltrus |
0 Replies
4826 Views |
June 27, 2010, 01:01:52 AM by jbaltrus |
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Huge Binaries
Started by idet2 |
2 Replies
6225 Views |
June 30, 2009, 08:43:15 AM by idet2 |
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how to run JOBBSSE
Started by ok |
1 Replies
6105 Views |
June 15, 2009, 02:04:36 PM by christof.haettig |
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How to calculate dG
Started by sonic |
3 Replies
19566 Views |
February 18, 2009, 02:43:18 PM by FKoehler |
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1 Replies
5709 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
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Heavy elements and relativistic effects
Started by JakubV |
9 Replies
4792 Views |
April 20, 2023, 10:33:25 AM by uwe |
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0 Replies
2856 Views |
January 26, 2023, 04:06:37 PM by ym21d@fsu.edu |
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Global Minimum
Started by kiranb |
0 Replies
3705 Views |
February 23, 2018, 11:16:51 PM by kiranb |
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5 Replies
7827 Views |
February 11, 2015, 11:36:37 PM by cediev87 |
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1 Replies
4087 Views |
September 25, 2015, 01:25:23 PM by christof.haettig |
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Frozen coordinates
Started by idet2 |
3 Replies
10148 Views |
November 19, 2007, 05:17:24 PM by idet2 |
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frozen coordinates
Started by juanjo |
8 Replies
20088 Views |
March 25, 2008, 12:51:37 PM by juanjo |
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freeh module and contractions
Started by jan |
1 Replies
5711 Views |
August 12, 2009, 03:48:13 PM by Arnim |
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0 Replies
4650 Views |
February 17, 2011, 08:05:28 AM by tosa |
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Freeh - linear molecules
Started by Ian K |
4 Replies
7998 Views |
October 26, 2010, 04:15:55 PM by Ian K |
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