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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
235 Views |
![]() by Mohammad |
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3 Replies
386 Views |
![]() by jfurness |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
300 Views |
![]() by rkloditz |
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[HowTo] Generate NTOs from TDDFT
Started by finrod |
0 Replies
1027 Views |
![]() by finrod |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
4 Replies
4157 Views |
![]() by KrisR |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
3365 Views |
![]() by sheidrich |
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hyperpolarizability
Started by jtravers |
1 Replies
1799 Views |
![]() by Arnim |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
1663 Views |
![]() by Arnim |
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Electrostatic potential
Started by djelenfi |
2 Replies
2082 Views |
![]() by djelenfi |
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EDD visualization
Started by valienpo |
4 Replies
2475 Views |
![]() by valienpo |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
1768 Views |
![]() by uwe |
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1 Replies
4722 Views |
![]() by christof.haettig |
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1 Replies
3810 Views |
![]() by christof.haettig |
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1 Replies
4013 Views |
![]() by christof.haettig |
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Electrostatic potential map
Started by mariavd |
2 Replies
5846 Views |
![]() by mariavd |
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3 Replies
11508 Views |
![]() by CharlesG |
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WFN for two-component wave function
Started by mamaouch |
0 Replies
4010 Views |
![]() by mamaouch |
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2 Replies
7982 Views |
![]() by uwe |
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Mulliken spin densities
Started by acapobia |
2 Replies
6672 Views |
![]() by acapobia |
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3 Replies
7860 Views |
![]() by woland |
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