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calculating charges on excited state
Started by sv |
1 Replies
7211 Views |
April 15, 2008, 04:40:56 PMby christof.haettig |
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1 Replies
7753 Views |
May 29, 2012, 12:43:05 PM by e.berardo |
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1 Replies
6502 Views |
November 17, 2016, 05:21:19 PM by christof.haettig |
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hyperpolarizability
Started by jtravers |
1 Replies
6270 Views |
April 23, 2019, 11:27:48 AM by Arnim |
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readable RIMP2 spin density
Started by tom77 |
1 Replies
6444 Views |
September 26, 2007, 04:49:44 PM by antti_karttunen |
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x2t convergence factor
Started by klickklack |
1 Replies
8150 Views |
February 25, 2009, 03:17:22 PM by uwe |
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Bond dissociation energy
Started by Morgan |
1 Replies
7946 Views |
April 29, 2009, 09:31:57 AM by andreas |
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atomic electron density
Started by dinos |
1 Replies
7136 Views |
May 10, 2007, 11:08:55 PM by turbomaster |
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Visualization
Started by Gopakumar |
2 Replies
10105 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9519 Views |
October 11, 2013, 04:35:28 PM by uwe |
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Electrostatic potential map
Started by mariavd |
2 Replies
8249 Views |
May 11, 2016, 11:53:47 AM by mariavd |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
8191 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
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Generate WFN file
Started by scope |
2 Replies
17080 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
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Generating .plt file
Started by dps17 |
2 Replies
7995 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8394 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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Electrostatic potential
Started by djelenfi |
2 Replies
4019 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
7974 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
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Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
3401 Views |
March 24, 2024, 05:57:16 PM by christof.haettig |
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2 Replies
7585 Views |
July 10, 2008, 03:46:50 PM by uwe |
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Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6631 Views |
September 11, 2009, 03:28:14 PM by wuhen |
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