Subject / Started by | Replies / Views | Last post | ||
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Electrostatic potential
Started by djelenfi |
2 Replies
3737 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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EDD visualization
Started by valienpo |
4 Replies
4133 Views |
February 28, 2019, 02:36:47 PM by valienpo |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
3224 Views |
February 27, 2019, 08:21:44 PM by uwe |
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1 Replies
6220 Views |
November 17, 2016, 05:21:19 PM by christof.haettig |
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1 Replies
5138 Views |
October 07, 2016, 02:22:23 PM by christof.haettig |
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1 Replies
5595 Views |
October 07, 2016, 02:15:27 PM by christof.haettig |
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Electrostatic potential map
Started by mariavd |
2 Replies
7928 Views |
May 11, 2016, 11:53:47 AM by mariavd |
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3 Replies
12875 Views |
October 14, 2015, 10:47:38 AM by CharlesG |
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WFN for two-component wave function
Started by mamaouch |
0 Replies
5236 Views |
August 24, 2015, 12:36:09 PM by mamaouch |
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2 Replies
10102 Views |
July 08, 2015, 02:41:39 PM by uwe |
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Mulliken spin densities
Started by acapobia |
2 Replies
7961 Views |
February 11, 2014, 10:32:32 AM by acapobia |
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3 Replies
9273 Views |
January 05, 2014, 11:27:53 PM by woland |
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Problems with PABOON MAO selection options
Started by wb |
4 Replies
9353 Views |
December 18, 2013, 07:06:01 AM by himansu |
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negative oscillator strengths
Started by vspata0 |
0 Replies
5593 Views |
November 21, 2013, 08:29:50 PM by vspata0 |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9209 Views |
October 11, 2013, 04:35:28 PM by uwe |
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12 Replies
13320 Views |
May 03, 2013, 09:23:27 AM by antti_karttunen |
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How generate wfn file in TM V6.3
Started by tayed |
4 Replies
11580 Views |
February 26, 2013, 07:52:04 PM by Hauke |
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Radius of Hydrogen used in $esp_fit kollman
Started by Hauke |
0 Replies
5341 Views |
December 14, 2012, 01:07:13 AM by Hauke |
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dipole moment
Started by shima |
1 Replies
7169 Views |
November 30, 2012, 08:37:05 AM by zelsan |
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how to calculate the spin natural orbital
Started by ardie |
0 Replies
5214 Views |
November 13, 2012, 01:35:05 PM by ardie |
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