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Topic	Forum	Replies	Last post
1 Imaginary frequency with relativistic X2C Hamiltonian in ORCA6.1.1 by saeed_E	Quantum Chemistry	1	Yesterday 18:36:27 by saeed_E
2 A very important question about http://sobereva.com/soft/adddiffuse by saeed_E	Quantum Chemistry	2	2026-07-16 11:55:55 by saeed_E
3 QTAIM with ECP by saeed_E	Multiwfn and wavefunction analysis	1	2026-07-10 23:36:26 by rikaaardoss
4 Main function 12 with relativistic wavefunction by saeed_E	Multiwfn and wavefunction analysis	3	2026-07-08 13:17:54 by sobereva
5 Wave function analysis at DLPNO-CCSD(T) by saeed_E	Multiwfn and wavefunction analysis	12	2026-06-26 20:19:40 by saeed_E
6 How to compute overlap between occupied orbitals? by saeed_E	Multiwfn and wavefunction analysis	2	2026-01-26 19:03:59 by saeed_E
7 A problem with GENNBO 5.0 by saeed_E	Quantum Chemistry	2	2026-01-04 03:53:12 by saeed_E
8 How to obtain Pauli repulsion in QTAIM analysis? by saeed_E	Quantum Chemistry	0	2025-10-09 03:09:54 by saeed_E
9 IGM and QTAIM by saeed_E	Quantum Chemistry	4	2025-09-23 21:12:23 by sobereva
10 Different energetics files generated by CREST by saeed_E	Quantum Chemistry	2	2025-09-20 20:04:11 by saeed_E
11 Using Shermo to automatically compute reaction functions by saeed_E	Quantum Chemistry	2	2025-09-19 09:35:16 by saeed_E
12 how to compute " bond stretching force constant"? by saeed_E	Quantum Chemistry	4	2025-09-12 17:53:46 by saeed_E
13 How to add GD3(BJ) to wb97X functional? by saeed_E	Quantum Chemistry	2	2025-08-08 20:17:14 by saeed_E
14 surface charge density by saeed_E	Multiwfn and wavefunction analysis	4	2025-08-06 18:50:00 by saeed_E
15 A question about Molclus by saeed_E	Quantum Chemistry	6	2025-06-09 05:35:47 by saeed_E
16 Molclus using for cluster optimization by saeed_E	Quantum Chemistry	2	2025-06-05 20:21:23 by saeed_E
17 How to compute dipole moment for a spesific bond in a moleular entity by saeed_E	Multiwfn and wavefunction analysis	2	2025-06-01 07:24:53 by saeed_E
18 About sobEDA calculations.... by saeed_E	Quantum Chemistry	2	2025-05-15 05:54:24 by saeed_E
19 Performing ASM and sobEDA along whole IRC profile in a complete.... by saeed_E	Multiwfn and wavefunction analysis	2	2025-05-14 15:18:43 by saeed_E
20 Using CDA to compute fragment orbitals responsible for Pauli by saeed_E	Quantum Chemistry	4	2025-04-28 09:11:07 by saeed_E
21 How to analyze Pauli repulsion with Multiwfn? by saeed_E	Quantum Chemistry	2	2025-04-27 04:14:26 by saeed_E
22 Sigme- or Pi-hole characterization with Laplacian of Rho by saeed_E	Quantum Chemistry	4	2025-03-23 03:14:31 by saeed_E
23 An unexplainable observation in the EDA by saeed_E	Quantum Chemistry	2	2025-03-15 05:42:38 by saeed_E
24 Drawing BCPs and Laplacian isosurface both at the same time? by saeed_E	Multiwfn and wavefunction analysis	6	2025-03-05 11:42:37 by saeed_E
25 Does M05-2X also need correction like M06-2X? by saeed_E	Quantum Chemistry	2	2025-03-05 09:52:03 by saeed_E
26 A question regarding SAPT analysis using def2 bases by saeed_E	Quantum Chemistry	2	2025-03-01 15:02:22 by saeed_E
27 Computation of solvation energy by saeed_E	Quantum Chemistry	4	2025-02-27 20:56:14 by saeed_E
28 An unknwn error in an Orca computation by saeed_E	Quantum Chemistry	4	2025-02-20 06:51:38 by saeed_E
29 There is a problem when ELF colored-filled map is generated by saeed_E	Multiwfn and wavefunction analysis	2	2025-02-18 07:58:09 by saeed_E
30 Which basis set do you recommend for Transition metals-included specie by saeed_E	Quantum Chemistry	4	2025-02-14 06:11:35 by saeed_E

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