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8 Replies
55373 Views |
March 15, 2022, 09:43:35 AMby prasanta13 |
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Re: eht for ion Rb
Started by yuniawan |
8 Replies
38797 Views |
November 02, 2015, 02:24:45 PM by yuniawan |
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EHT dimension problem
Started by Raffaele Credendino |
7 Replies
43378 Views |
November 15, 2017, 05:23:04 AM by juhidutta |
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Automatimg Define
Started by ym21d@fsu.edu |
7 Replies
49861 Views |
June 25, 2025, 08:45:21 PM by ym21d@fsu.edu |
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How can i read SCF vector
Started by tayed |
6 Replies
29336 Views |
November 06, 2012, 10:59:14 AM by Sam483 |
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5 Replies
40447 Views |
September 10, 2018, 09:45:45 PM by uwe |
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Dhoosing a singelt open shell state
Started by ym21d@fsu.edu |
5 Replies
32611 Views |
August 14, 2025, 01:51:46 PM by uwe |
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User-defined functionals
Started by lien.bentein |
5 Replies
38956 Views |
August 04, 2009, 10:23:53 AM by uwe |
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RI-approximation in Turbomole
Started by zahra |
4 Replies
33104 Views |
March 21, 2017, 11:23:53 AM by christof.haettig |
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4 Replies
1679 Views |
January 26, 2026, 06:15:17 PM by arturosauza |
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4 Replies
31315 Views |
August 15, 2018, 06:15:42 PM by uwe |
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Define dies with 'Too many atoms'
Started by Arrepiadd |
4 Replies
40307 Views |
April 25, 2008, 10:55:34 AM by Arrepiadd |
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heavy atoms without ecp
Started by fru14909 |
4 Replies
40537 Views |
March 02, 2021, 12:31:33 PM by Scoops |
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nonadiabatic coupling vector
Started by jzstdo |
4 Replies
33899 Views |
February 15, 2017, 03:34:43 PM by christof.haettig |
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frozen core and full core calculations
Started by golden |
4 Replies
25543 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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4 Replies
34621 Views |
April 15, 2008, 06:48:05 PM by sca |
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Cerium ECP with 46 core electrons
Started by gpetrova |
4 Replies
27753 Views |
September 27, 2010, 03:51:51 PM by gpetrova |
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Using flip to define a biradical orbital
Started by fcdestro |
4 Replies
9635 Views |
December 01, 2025, 10:09:02 AM by fcdestro |
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4 Replies
34747 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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3 Replies
23101 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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