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Diabatic calculation
Started by greisen |
0 Replies
44781 Views |
March 21, 2011, 03:14:35 PMby greisen |
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Fragment Multiplicity
Started by Ian K |
0 Replies
54289 Views |
August 17, 2010, 10:21:44 PM by Ian K |
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CAM-B3LYP IN TURBOMOLE 7.0
Started by inozerox |
2 Replies
70340 Views |
October 07, 2015, 08:09:15 PM by inozerox |
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2 Replies
73994 Views |
April 09, 2016, 11:18:00 AM by inozerox |
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2 Replies
59311 Views |
March 13, 2022, 12:13:27 PM by uwe |
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cant find all internal coordinates
Started by janwahl |
2 Replies
72041 Views |
September 07, 2009, 12:36:25 PM by janwahl |
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Cant change stretch value
Started by janwahl |
2 Replies
74166 Views |
October 12, 2009, 11:59:47 AM by uwe |
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problem in ired
Started by jitmukherjeechem |
3 Replies
48058 Views |
May 22, 2012, 09:55:54 AM by Arnim |
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3 Replies
47387 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
48436 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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finding ehtdata in a local basis library
Started by jmb |
1 Replies
51821 Views |
April 06, 2011, 03:40:51 PM by uwe |
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Modifying basis functions
Started by jmmckel |
1 Replies
62826 Views |
May 22, 2009, 01:06:23 PM by andreas |
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Optimization with frozen coordinates
Started by juanjo |
3 Replies
54840 Views |
November 24, 2008, 06:17:38 PM by juanjo |
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nonadiabatic coupling vector
Started by jzstdo |
4 Replies
60480 Views |
February 15, 2017, 03:34:43 PM by christof.haettig |
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2 Replies
55791 Views |
January 17, 2008, 02:30:34 PM by Kiwinator |
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weird_eht_2nd
Started by Kiwinator |
1 Replies
59639 Views |
February 13, 2008, 06:41:58 AM by uwe |
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Reading a weird basis set
Started by Kiwinator |
2 Replies
48338 Views |
January 08, 2009, 03:54:10 PM by Kiwinator |
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Turbomole parallel error
Started by kshatresh |
1 Replies
43711 Views |
February 01, 2018, 03:56:34 PM by uwe |
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User-defined functionals
Started by lien.bentein |
5 Replies
68349 Views |
August 04, 2009, 10:23:53 AM by uwe |
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desy and eps units
Started by lopez |
1 Replies
52559 Views |
May 06, 2009, 09:07:55 PM by andreas |
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