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2 Replies
5930 Views |
July 16, 2014, 11:12:11 AMby evgeniy |
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cant find all internal coordinates
Started by janwahl |
2 Replies
7109 Views |
September 07, 2009, 12:36:25 PM by janwahl |
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2 Replies
7446 Views |
April 09, 2016, 11:18:00 AM by inozerox |
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2 Replies
8668 Views |
August 30, 2016, 02:11:44 PM by footballplayer |
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B-p86 functional in Turbomole
Started by zahra |
2 Replies
7004 Views |
February 17, 2017, 12:15:23 PM by zahra |
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Ired crashes define
Started by Michael_Patzschke |
2 Replies
2986 Views |
October 12, 2023, 06:57:32 AM by Michael_Patzschke |
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flip @ define
Started by chburger |
2 Replies
7320 Views |
March 25, 2008, 11:07:33 AM by uwe |
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2 Replies
7374 Views |
June 03, 2008, 10:26:34 AM by evgeniy |
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CAM-B3LYP IN TURBOMOLE 7.0
Started by inozerox |
2 Replies
6017 Views |
October 07, 2015, 08:09:15 PM by inozerox |
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Optimization with frozen coordinates
Started by juanjo |
3 Replies
8367 Views |
November 24, 2008, 06:17:38 PM by juanjo |
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3 Replies
11867 Views |
September 25, 2008, 10:32:02 AM by uwe |
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DFT+D calculations
Started by bademoor |
3 Replies
13767 Views |
April 18, 2008, 12:12:17 PM by bademoor |
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3 Replies
10040 Views |
June 02, 2008, 06:17:38 PM by christof.haettig |
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setting for rimp2 caculation with ricc2
Started by YangSiYa |
3 Replies
7828 Views |
February 05, 2009, 02:22:12 PM by christof.haettig |
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EHT for copper
Started by agnesst |
3 Replies
4246 Views |
September 10, 2020, 07:50:46 PM by uwe |
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system charge
Started by wilhelm |
3 Replies
6243 Views |
November 18, 2010, 06:02:19 PM by christof.haettig |
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problem in ired
Started by jitmukherjeechem |
3 Replies
7972 Views |
May 22, 2012, 09:55:54 AM by Arnim |
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3 Replies
6955 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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Up to a million dummy atoms
Started by Zessin |
3 Replies
7457 Views |
November 19, 2010, 11:08:48 AM by uwe |
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ired problem
Started by 175116 |
3 Replies
7994 Views |
November 06, 2010, 09:21:06 PM by 175116 |
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