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1 Replies
5189 Views |
February 16, 2015, 02:29:57 PMby uwe |
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3 Replies
10043 Views |
June 02, 2008, 06:17:38 PM by christof.haettig |
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Optimization with frozen coordinates
Started by juanjo |
3 Replies
8368 Views |
November 24, 2008, 06:17:38 PM by juanjo |
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optimisation from hessian
Started by monika |
1 Replies
13818 Views |
January 23, 2007, 12:36:54 PM by turbomaster |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
5999 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
7807 Views |
April 07, 2008, 10:26:25 AM by Arnim |
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nonadiabatic coupling vector
Started by jzstdo |
4 Replies
11251 Views |
February 15, 2017, 03:34:43 PM by christof.haettig |
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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
6679 Views |
June 01, 2017, 01:46:39 PM by evgeniy |
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0 Replies
6394 Views |
June 02, 2008, 05:54:01 PM by christof.haettig |
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Modifying basis functions
Started by jmmckel |
1 Replies
6335 Views |
May 22, 2009, 01:06:23 PM by andreas |
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2 Replies
7636 Views |
April 15, 2008, 07:19:17 PM by FKoehler |
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2 Replies
8477 Views |
September 15, 2021, 04:42:41 PM by uwe |
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ired problem
Started by 175116 |
3 Replies
7996 Views |
November 06, 2010, 09:21:06 PM by 175116 |
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Ired crashes define
Started by Michael_Patzschke |
2 Replies
3024 Views |
October 12, 2023, 06:57:32 AM by Michael_Patzschke |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
4931 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
4802 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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How to use "scanprep" script?
Started by ztehrani |
1 Replies
7471 Views |
May 16, 2017, 04:21:20 PM by Arnim |
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0 Replies
5495 Views |
March 26, 2010, 05:58:40 PM by evgeniy |
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1 Replies
4285 Views |
October 06, 2020, 06:56:33 PM by uwe |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5574 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic