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reference in define of B97-D
Started by Stefan |
0 Replies
5956 Views |
April 04, 2011, 04:46:57 AMby Stefan |
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Is def2-TZVP O.K
Started by asaf |
7 Replies
16116 Views |
April 06, 2011, 07:48:09 PM by antti_karttunen |
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2 Replies
6631 Views |
April 13, 2011, 08:04:14 AM by antti_karttunen |
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2 Replies
6000 Views |
May 09, 2011, 01:31:37 PM by yasmeen |
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Use of fully separable ECP
Started by MarcMB |
0 Replies
5258 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
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fatal error in moredu
Started by Danylo |
1 Replies
6181 Views |
May 31, 2011, 11:03:42 AM by uwe |
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Printing out two electron integrals
Started by MarcMB |
1 Replies
6060 Views |
August 11, 2011, 06:13:17 PM by christof.haettig |
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1 Replies
5638 Views |
October 14, 2011, 10:08:23 AM by andreas |
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ERROR in dscf step
Started by Mik |
2 Replies
6618 Views |
October 14, 2011, 06:24:28 PM by Mik |
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major difference between pbe and b3-lyp
Started by foea |
4 Replies
8072 Views |
November 14, 2011, 03:06:21 PM by foea |
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Functionals
Started by 175116 |
1 Replies
7344 Views |
November 17, 2011, 03:57:42 PM by uwe |
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Two-component calculations
Started by tayed |
0 Replies
5017 Views |
November 28, 2011, 10:46:00 AM by tayed |
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0 Replies
5036 Views |
December 08, 2011, 12:39:52 PM by tayed |
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0 Replies
5437 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
4880 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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PEEC Manual Example
Started by foea |
0 Replies
5737 Views |
January 25, 2012, 10:22:32 AM by foea |
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eiger function not working
Started by golden |
5 Replies
8229 Views |
February 07, 2012, 08:32:23 PM by antti_karttunen |
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can dos calculations run on parallel
Started by golden |
2 Replies
6067 Views |
February 29, 2012, 12:47:42 AM by golden |
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Pointcharges problem
Started by basklau |
2 Replies
6116 Views |
March 05, 2012, 04:15:59 PM by basklau |
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problem in running optimization
Started by jitmukherjeechem |
0 Replies
5119 Views |
May 14, 2012, 05:59:28 PM by jitmukherjeechem |
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