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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19907 Views |
June 16, 2009, 10:35:50 AMby tanguyv |
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3 Replies
9485 Views |
January 05, 2014, 11:27:53 PM by woland |
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freeH partition function calculation
Started by Dempsey |
3 Replies
3232 Views |
July 11, 2023, 07:43:33 PM by Dempsey |
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Mulliken spin densities
Started by acapobia |
2 Replies
8166 Views |
February 11, 2014, 10:32:32 AM by acapobia |
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2 Replies
7301 Views |
October 09, 2009, 03:09:34 PM by wuhen |
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Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6545 Views |
September 11, 2009, 03:28:14 PM by wuhen |
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Electrostatic potential
Started by djelenfi |
2 Replies
3948 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
4629 Views |
October 09, 2020, 11:05:06 AM by rkloditz |
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molecular orbital
Started by wuhen |
2 Replies
6569 Views |
December 12, 2009, 09:54:53 AM by wuhen |
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MO calculation
Started by wuhen |
2 Replies
6588 Views |
October 23, 2009, 02:17:11 PM by wuhen |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9430 Views |
October 11, 2013, 04:35:28 PM by uwe |
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Generating .plt file
Started by dps17 |
2 Replies
7893 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8292 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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2 Replies
10339 Views |
July 08, 2015, 02:41:39 PM by uwe |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
8004 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
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TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9398 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
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Visualization
Started by Gopakumar |
2 Replies
10013 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
7883 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
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egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
7261 Views |
June 26, 2008, 11:23:30 AM by antti_karttunen |
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2 Replies
7493 Views |
July 10, 2008, 03:46:50 PM by uwe |
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