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Topic	Forum	Replies	Last post
1 Using CDA to compute fragment orbitals responsible for Pauli by saeed_E	Quantum Chemistry	4	2025-04-28 09:11:07 by saeed_E
2 How to analyze Pauli repulsion with Multiwfn? by saeed_E	Quantum Chemistry	2	2025-04-27 04:14:26 by saeed_E
3 Sigme- or Pi-hole characterization with Laplacian of Rho by saeed_E	Quantum Chemistry	4	2025-03-23 03:14:31 by saeed_E
4 An unexplainable observation in the EDA by saeed_E	Quantum Chemistry	2	2025-03-15 05:42:38 by saeed_E
5 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
6 Does M05-2X also need correction like M06-2X? by saeed_E	Quantum Chemistry	2	2025-03-05 09:52:03 by saeed_E
7 A question regarding SAPT analysis using def2 bases by saeed_E	Quantum Chemistry	2	2025-03-01 15:02:22 by saeed_E
8 Computation of solvation energy by saeed_E	Quantum Chemistry	4	2025-02-27 20:56:14 by saeed_E
9 An unknwn error in an Orca computation by saeed_E	Quantum Chemistry	4	2025-02-20 06:51:38 by saeed_E
10 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
11 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
12 How to used GaussView-like formats in VMD by saeed_E	Quantum Chemistry	2	2025-01-26 09:55:37 by saeed_E
13 VMD version by saeed_E	Quantum Chemistry	2	2025-01-25 10:21:27 by saeed_E
14 Why do some reactions need only MP2 calculations? by saeed_E	Quantum Chemistry	3	2025-01-01 18:06:41 by saeed_E
15 A reference needs for the advantages of B2PLYP over MP2 by saeed_E	Quantum Chemistry	2	2024-12-31 06:16:11 by saeed_E
16 SAPT analysis over three interacting monomers by saeed_E	Quantum Chemistry	2	2024-12-19 17:28:50 by saeed_E
17 SAPT calculations in solvent by saeed_E	Quantum Chemistry	2	2024-12-10 22:17:28 by saeed_E
18 How to visualize E2 perturbation with VMD? by saeed_E	Multiwfn and wavefunction analysis	5	2024-12-07 10:36:01 by saeed_E
19 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
20 IQA and Many-body contribution by saeed_E	Quantum Chemistry	4	2024-09-04 11:42:06 by saeed_E
21 A question regarding topological descriptors by saeed_E	Quantum Chemistry	2	2024-08-20 18:15:32 by saeed_E
22 SCF or MP2 density. Which one? by saeed_E	Multiwfn and wavefunction analysis	4	2024-08-10 21:23:35 by saeed_E
23 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
24 Poor correlation between Rho and IE by saeed_E	Multiwfn and wavefunction analysis	2	2024-08-09 08:08:17 by saeed_E
25 ESP analysis with pseudo potentials by saeed_E	Multiwfn and wavefunction analysis	2	2024-08-03 16:57:03 by saeed_E
26 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
27 Calculation level for obtaining DFT_Grac_Shift by saeed_E	Quantum Chemistry	2	2024-08-01 21:26:54 by saeed_E
28 Nice article on your homepage by saeed_E	Multiwfn and wavefunction analysis	2	2024-07-30 17:54:53 by saeed_E
29 Psi4 Scratch folder would not be emptied. Why? by saeed_E	Quantum Chemistry	2	2024-07-28 18:41:35 by saeed_E
30 The input Orca file is immediately terminated with error by saeed_E	Quantum Chemistry	4	2024-07-25 18:37:33 by saeed_E

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