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1 Replies
5312 Views |
October 07, 2016, 02:22:23 PMby christof.haettig |
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2 Replies
7284 Views |
October 09, 2009, 03:09:34 PM by wuhen |
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12 Replies
13555 Views |
May 03, 2013, 09:23:27 AM by antti_karttunen |
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0 Replies
5237 Views |
July 13, 2011, 03:49:12 PM by Hasan |
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5 Replies
11537 Views |
June 04, 2008, 11:43:10 AM by uwe |
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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
4134 Views |
December 05, 2020, 09:04:32 PM by Mohammad |
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LCAO coefficients
Started by Gopakumar |
0 Replies
6110 Views |
December 13, 2007, 11:37:28 AM by Gopakumar |
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Localization of virtual orbitals
Started by Matteo Guglielmi |
7 Replies
15483 Views |
April 15, 2008, 04:53:55 PM by christof.haettig |
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methods for a quality CD spectrum
Started by jbaltrus |
1 Replies
5882 Views |
July 20, 2010, 05:51:22 PM by christof.haettig |
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MO calculation
Started by wuhen |
2 Replies
6571 Views |
October 23, 2009, 02:17:11 PM by wuhen |
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0 Replies
4626 Views |
April 21, 2011, 04:08:40 PM by pandaaka |
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molecular orbital
Started by wuhen |
2 Replies
6548 Views |
December 12, 2009, 09:54:53 AM by wuhen |
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MOs decomposition using NBO analysis
Started by Jakub |
1 Replies
6672 Views |
October 25, 2010, 01:23:41 PM by Arnim |
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1 Replies
5666 Views |
October 24, 2012, 07:43:55 PM by acapobia |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9398 Views |
October 11, 2013, 04:35:28 PM by uwe |
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3 Replies
9457 Views |
January 05, 2014, 11:27:53 PM by woland |
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4 Replies
10856 Views |
February 12, 2009, 12:11:43 AM by acapobia |
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2 Replies
2989 Views |
May 31, 2023, 12:33:41 PM by Dempsey |
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Mulliken spin densities
Started by acapobia |
2 Replies
8145 Views |
February 11, 2014, 10:32:32 AM by acapobia |
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negative oscillator strengths
Started by vspata0 |
0 Replies
5769 Views |
November 21, 2013, 08:29:50 PM by vspata0 |
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