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Topic	Forum	Replies	Last post
1 How to find method/basis for an existing WFN file? by saeed_E	Multiwfn and wavefunction analysis	2	2024-11-14 23:06:47 by saeed_E
2 IQA and Many-body contribution by saeed_E	Quantum Chemistry	4	2024-09-04 11:42:06 by saeed_E
3 A question regarding topological descriptors by saeed_E	Quantum Chemistry	2	2024-08-20 18:15:32 by saeed_E
4 SCF or MP2 density. Which one? by saeed_E	Multiwfn and wavefunction analysis	4	2024-08-10 21:23:35 by saeed_E
5 Small-core, Medium-core, or large-core. Which one and how? by saeed_E	Quantum Chemistry	6	2024-08-09 08:14:54 by saeed_E
6 Poor correlation between Rho and IE by saeed_E	Multiwfn and wavefunction analysis	2	2024-08-09 08:08:17 by saeed_E
7 ESP analysis with pseudo potentials by saeed_E	Multiwfn and wavefunction analysis	2	2024-08-03 16:57:03 by saeed_E
8 Are fragments need to be explicitly defined for DFT-SAPT? by saeed_E	Quantum Chemistry	2	2024-08-02 14:37:58 by saeed_E
9 Calculation level for obtaining DFT_Grac_Shift by saeed_E	Quantum Chemistry	2	2024-08-01 21:26:54 by saeed_E
10 Nice article on your homepage by saeed_E	Multiwfn and wavefunction analysis	2	2024-07-30 17:54:53 by saeed_E
11 Psi4 Scratch folder would not be emptied. Why? by saeed_E	Quantum Chemistry	2	2024-07-28 18:41:35 by saeed_E
12 The input Orca file is immediately terminated with error by saeed_E	Quantum Chemistry	4	2024-07-25 18:37:33 by saeed_E
13 How to augment Def2 series with "aug" prefix? by saeed_E	Quantum Chemistry	2	2024-07-23 18:33:54 by saeed_E
14 About Orca by saeed_E	Quantum Chemistry	2	2024-07-22 19:25:17 by saeed_E
15 jun-Cheap (jChS) composite method by saeed_E	Quantum Chemistry	2	2024-07-11 15:34:59 by saeed_E
16 Very strange AIM results! by saeed_E	Multiwfn and wavefunction analysis	8	2024-07-10 07:10:23 by saeed_E
17 SAPT components by saeed_E	Quantum Chemistry	1	2024-07-10 06:04:31 by sobereva
18 IGM and BCP by saeed_E	Multiwfn and wavefunction analysis	2	2024-07-04 23:11:27 by saeed_E
19 How to draw HOMO and LUMO isosurfaces by saeed_E	Multiwfn and wavefunction analysis	4	2024-06-30 04:47:32 by saeed_E
20 Regarding your highly valuable VMD script you kindly introduced me. by saeed_E	Multiwfn and wavefunction analysis	4	2024-06-29 10:01:58 by saeed_E
21 A question regarding QTAIM calculation in solution phase by saeed_E	Multiwfn and wavefunction analysis	4	2024-06-29 06:49:26 by saeed_E
22 Comparison two reactions...Seemingly, you have forgotten... by saeed_E	Multiwfn and wavefunction analysis	2	2024-06-09 20:08:34 by saeed_E
23 How to filip spin in Gaussian? by saeed_E	Quantum Chemistry	2	2024-06-09 18:24:03 by saeed_E
24 ETA-NOCV on a cycloadduct-Singlet fragments or triplet fragments? by saeed_E	Multiwfn and wavefunction analysis	2	2024-06-09 18:22:30 by saeed_E
25 Comparison two reactions. Which one is reasonable? by saeed_E	Multiwfn and wavefunction analysis	4	2024-06-07 18:10:14 by saeed_E
26 ETS-NOCV for unrestricted systems by saeed_E	Multiwfn and wavefunction analysis	2	2024-06-06 14:06:33 by saeed_E
27 IQA analysis over a non-stationary point by saeed_E	Multiwfn and wavefunction analysis	2	2024-06-05 16:54:23 by saeed_E
28 How to compute overlap matrix S -an urgent request by saeed_E	Multiwfn and wavefunction analysis	2	2024-05-20 21:04:45 by saeed_E
29 A very very short statement requiring your valuable attention by saeed_E	Quantum Chemistry	2	2024-04-23 07:19:17 by saeed_E
30 A script is needed by saeed_E	Quantum Chemistry	2	2024-04-16 17:56:47 by saeed_E

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