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LCAO coefficients
Started by Gopakumar |
0 Replies
6094 Views |
December 13, 2007, 11:37:28 AMby Gopakumar |
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0 Replies
5224 Views |
July 13, 2011, 03:49:12 PM by Hasan |
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negative oscillator strengths
Started by vspata0 |
0 Replies
5752 Views |
November 21, 2013, 08:29:50 PM by vspata0 |
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0 Replies
4612 Views |
April 21, 2011, 04:08:40 PM by pandaaka |
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Radius of Hydrogen used in $esp_fit kollman
Started by Hauke |
0 Replies
5496 Views |
December 14, 2012, 01:07:13 AM by Hauke |
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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
3784 Views |
December 05, 2020, 09:04:32 PM by Mohammad |
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wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
5948 Views |
June 06, 2008, 01:48:49 AM by wwwups |
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0 Replies
5201 Views |
March 31, 2010, 11:36:27 AM by evgeniy |
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0 Replies
5446 Views |
March 31, 2010, 04:51:54 PM by evgeniy |
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$wfn - 'too many iterations in tqli'
Started by pandaaka |
0 Replies
6470 Views |
March 15, 2010, 04:54:28 PM by pandaaka |
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Error message with tm2molden
Started by lasermichel |
0 Replies
5095 Views |
March 08, 2010, 10:47:31 AM by lasermichel |
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0 Replies
6899 Views |
July 14, 2011, 02:51:03 PM by greisen |
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WFN for two-component wave function
Started by mamaouch |
0 Replies
5395 Views |
August 24, 2015, 12:36:09 PM by mamaouch |
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0 Replies
6269 Views |
June 06, 2012, 05:16:54 AM by wuhen |
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0 Replies
2829 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
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Dipolcalculations using moloch
Started by Stefan |
0 Replies
5600 Views |
September 25, 2007, 04:01:20 PM by Stefan |
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0 Replies
5255 Views |
May 02, 2012, 10:44:58 AM by Konstantin |
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B3LYP orbitals
Started by tayed |
0 Replies
4883 Views |
April 12, 2012, 05:08:52 PM by tayed |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
3126 Views |
December 02, 2021, 04:59:06 PM by max_sam |
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how to calculate the spin natural orbital
Started by ardie |
0 Replies
5370 Views |
November 13, 2012, 01:35:05 PM by ardie |
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