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Topic	Forum	Replies	Last post
1 MP2 frequency with G16 (very very short question) by saeed_E	Quantum Chemistry	2	2023-04-25 18:09:35 by saeed_E
2 The "ORCA_CP.sh" script was prepared for a trimer complex by saeed_E	Multiwfn and wavefunction analysis	2	2023-04-17 15:32:29 by saeed_E
3 A problem regarding CDA in Multiwfn (an urgest and a crucial ask) by saeed_E	Multiwfn and wavefunction analysis	11	2023-04-12 17:25:36 by saeed_E
4 SCS-MP2 versus MP2 by saeed_E	Multiwfn and wavefunction analysis	2	2023-03-13 16:45:46 by saeed_E
5 MP2 or dispersion-corrected DFT-functionals? by saeed_E	Quantum Chemistry	4	2023-03-01 15:08:53 by saeed_E
6 Questions regarding energy decomposition through extralink 608 by G16 by saeed_E	Quantum Chemistry	0	2023-02-27 16:37:58 by saeed_E
7 A question regarding AIM analysis by saeed_E	Multiwfn and wavefunction analysis	2	2023-02-27 09:51:34 by saeed_E
8 There are not two newly added sections in the manual by saeed_E	Multiwfn and wavefunction analysis	2	2022-11-22 19:02:25 by saeed_E
9 A very short question regarding "atmdg.pdb" file by saeed_E	Multiwfn and wavefunction analysis	6	2021-12-05 05:05:19 by saeed_E
10 BSSE correction, which one of SCF or correlation portion is affected? by saeed_E	Quantum Chemistry	2	2021-12-02 17:20:18 by saeed_E
11 Contribution of two interacting atoms in the corresponding QTAIM BCP by saeed_E	Multiwfn and wavefunction analysis	2	2021-12-02 09:24:05 by saeed_E
12 EDD maps and polarization by saeed_E	Quantum Chemistry	2	2021-11-24 18:38:47 by saeed_E
13 Is Pauli repulsion a sub-part of electrostatic interaction? by saeed_E	Quantum Chemistry	2	2021-11-10 10:33:09 by saeed_E
14 Using "NBO Del" approach to figure out induction component by saeed_E	Quantum Chemistry	2	2021-11-10 10:25:56 by saeed_E
15 My Orca input file is immediately terminated with an error by saeed_E	Quantum Chemistry	3	2021-10-30 10:35:12 by saeed_E
16 How to compute atomic contribution in the ELF value of a whole system? by saeed_E	Multiwfn and wavefunction analysis	5	2021-10-27 16:35:10 by saeed_E
17 Two questions regarding NBO calculations by saeed_E	Multiwfn and wavefunction analysis	2	2021-03-10 07:56:22 by saeed_E
18 A question about two competitive Halogen-bond interactions... by saeed_E	Multiwfn and wavefunction analysis	2	2021-02-27 08:58:50 by saeed_E
19 DLPNO-CCSD(T) TightPNO CBS extrapolation with Orca by saeed_E	Quantum Chemistry	2	2021-02-23 05:53:34 by saeed_E
20 Blue-shift instead of expected red-shift in XB-bonded complexes by saeed_E	Multiwfn and wavefunction analysis	2	2021-02-22 15:06:45 by saeed_E
21 Question about Delta_g(IGMH,inter) by saeed_E	Multiwfn and wavefunction analysis	5	2021-02-20 06:42:14 by saeed_E
22 Electron density and spin density? by saeed_E	Multiwfn and wavefunction analysis	2	2020-05-10 02:32:12 by saeed_E
23 Some calculations on the IGM analysis by saeed_E	Multiwfn and wavefunction analysis	1	2020-04-10 11:36:03 by sobereva
24 About calculating mutual penetration (a specific case) by saeed_E	Multiwfn and wavefunction analysis	4	2019-12-30 23:44:22 by saeed_E
25 About MP2 density within ESP calculation by saeed_E	Multiwfn and wavefunction analysis	2	2019-12-22 18:56:03 by saeed_E

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