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Generating natural orbitals for difference density, preferably in Q-Chem 1
/r/comp_chem, 2023-11-16, 00:37:25
Generating natural orbitals for difference density, preferably in Q-Chem 1
/r/comp_chem, 2023-11-16, 00:37:16
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Need help with converting GROMACS topology to AMBER format for MMPBSA analysis 1
/r/comp_chem, 2023-06-07, 20:14:07
I built a machine learning application for ligand-based drug discovery against GPCRs 11
/r/comp_chem, 2023-06-06, 21:49:41
How to calculate charge transfer (CT) in NBO Analysis using gaussian 09? 3
/r/comp_chem, 2023-05-29, 17:47:37
Assignment of excited states to molecular orbital transitions in Maestro / Jaguar 3
/r/comp_chem, 2023-05-24, 07:51:13
How serious is diploma inflation in the field of Computational Chemistry? 5
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/r/comp_chem, 2023-08-01, 23:21:03 , 13 score , -0.03 sentiment rating
Permalink/r/comp_chem, 2023-08-01, 19:17:19 , 1 score , +0.57 sentiment rating
Permalink/r/comp_chem, 2023-08-01, 16:16:46 , 3 score , +0.86 sentiment rating
Permalink/r/comp_chem, 2023-08-01, 15:14:51 , 3 score , +0.36 sentiment rating
Permalink/r/comp_chem, 2023-08-01, 14:28:08 , 1 score
Permalink/r/comp_chem, 2023-08-01, 10:42:02 , 1 score , +0.86 sentiment rating
Permalink/r/comp_chem, 2023-08-01, 07:22:32 , 2 score , +0.29 sentiment rating
Permalink/r/comp_chem, 2023-07-31, 13:44:40 , 1 score , +0.90 sentiment rating
Permalink/r/comp_chem, 2023-07-31, 13:27:53 , 4 score , +0.30 sentiment rating
Permalink/r/comp_chem, 2023-07-30, 10:07:16 , 1 score , +0.68 sentiment rating
Permalink/r/comp_chem, 2023-07-30, 06:41:23 , 2 score
Permalink/r/comp_chem, 2023-07-30, 06:20:29 , 1 score
Permalink/r/comp_chem, 2023-07-30, 06:19:46 , 1 score
Permalink/r/comp_chem, 2023-07-30, 02:54:17 , 1 score , +0.27 sentiment rating
Permalink/r/comp_chem, 2023-07-29, 23:33:34 , 1 score , +0.88 sentiment rating
Permalink/r/comp_chem, 2023-07-29, 23:30:52 , 5 score , +0.28 sentiment rating
Permalink/r/comp_chem, 2023-07-29, 23:07:05 , 1 score , +0.75 sentiment rating
Permalink/r/comp_chem, 2023-07-29, 13:46:41 , 1 score , +0.49 sentiment rating
Permalink/r/comp_chem, 2023-07-29, 01:01:53 , 1 score , +0.69 sentiment rating
Permalink/r/comp_chem, 2023-07-28, 20:15:19 , 1 score , +0.60 sentiment rating
Permalink/r/comp_chem, 2023-07-28, 19:17:25 , 1 score , -0.03 sentiment rating
Permalink/r/comp_chem, 2023-07-21, 17:03:00 , 1 score , +0.93 sentiment rating
Permalink/r/comp_chem, 2023-07-21, 15:12:08 , 1 score , +0.10 sentiment rating
Permalink/r/comp_chem, 2023-07-10, 19:39:51 , 1 score
Permalink/r/comp_chem, 2023-07-10, 11:31:56 , 3 score
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