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3 Replies
9046 Views |
June 14, 2009, 11:28:35 AMby mpjohans |
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Finding transition state @ RI-MP2
Started by ztehrani |
7 Replies
8691 Views |
April 26, 2015, 06:28:49 AM by ztehrani |
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Numerical Geometry Optimization for CCSD(T)
Started by mike |
4 Replies
8589 Views |
September 25, 2015, 02:20:24 PM by christof.haettig |
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1 Replies
8584 Views |
May 13, 2008, 09:30:25 AM by Arnim |
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5 Replies
8289 Views |
September 25, 2015, 02:18:05 PM by christof.haettig |
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ricc2 -level cc2
Started by Pfister |
2 Replies
8272 Views |
December 08, 2008, 09:45:32 AM by Pfister |
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excited states RICC2 – symmetry issue
Started by Alex_V |
4 Replies
8207 Views |
November 18, 2010, 05:41:19 PM by christof.haettig |
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1 Replies
8117 Views |
November 16, 2007, 06:00:37 PM by christof.haettig |
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5 Replies
8074 Views |
March 24, 2024, 04:53:44 PM by christof.haettig |
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ricc2 - -> low lying complex roots
Started by mbeyhan |
1 Replies
7969 Views |
November 16, 2007, 06:12:00 PM by christof.haettig |
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CC2 natural orbitals/occupations on file
Started by mpjohans |
1 Replies
7937 Views |
September 17, 2008, 12:42:29 PM by mpjohans |
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ricc2 and cosmo solvation model
Started by oliver |
1 Replies
7783 Views |
November 16, 2007, 06:06:57 PM by christof.haettig |
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6 Replies
7769 Views |
September 25, 2015, 02:11:33 PM by christof.haettig |
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1 Replies
7740 Views |
April 19, 2008, 10:10:37 PM by uwe |
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1 Replies
7694 Views |
September 21, 2007, 11:29:58 PM by turbomaster |
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RI-CC2 excitation calculation
Started by philippt |
3 Replies
7669 Views |
November 20, 2015, 02:32:24 PM by christof.haettig |
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-proper crashes
Started by qadir |
1 Replies
7642 Views |
January 07, 2009, 03:40:42 PM by Arnim |
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no converge in ricc2 ??
Started by voyoleno |
1 Replies
7564 Views |
February 05, 2008, 11:25:38 AM by Arnim |
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1 Replies
7370 Views |
February 10, 2010, 04:12:01 PM by christof.haettig |
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2 Replies
7368 Views |
July 21, 2010, 04:20:32 PM by christof.haettig |
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