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antiferromagnetic mulliken
Started by Roc2019 |
5 Replies
45143 Views |
September 6, 2024, 20:45by Anders Blom |
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7 Replies
32038 Views |
September 6, 2024, 11:13 by zhenlan |
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7 Replies
34778 Views |
September 6, 2024, 09:21 by Anders Blom |
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1 Replies
25451 Views |
September 5, 2024, 21:45 by Anders Blom |
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Calculating UV Vis spectra
Started by Akash Ramasamy |
4 Replies
19985 Views |
September 4, 2024, 06:31 by Akash Ramasamy |
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export MD trajectories to extended XYZ
Started by msingh96 |
2 Replies
37029 Views |
September 3, 2024, 07:40 by msingh96 |
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Local energy in MTP calculation
Started by nils.holle |
3 Replies
31625 Views |
September 3, 2024, 07:09 by nils.holle |
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3 Replies
22540 Views |
August 31, 2024, 00:04 by Anders Blom |
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Cosmo solvation for 1D materials
Started by Akash Ramasamy |
1 Replies
20355 Views |
August 27, 2024, 01:52 by Anders Blom |
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1 Replies
12778 Views |
August 27, 2024, 01:48 by Anders Blom |
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Interface dipole metal-molecule
Started by jalmeida |
3 Replies
18418 Views |
August 27, 2024, 01:21 by Anders Blom |
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3 Replies
26591 Views |
August 27, 2024, 01:20 by Anders Blom |
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7 Replies
19459 Views |
August 27, 2024, 01:19 by Anders Blom |
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0 Replies
11781 Views |
August 24, 2024, 10:42 by hendchem2024 |
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0 Replies
11817 Views |
August 24, 2024, 10:28 by hendchem2024 |
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1 Replies
18090 Views |
August 19, 2024, 09:40 by Ruiya |
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2 Replies
20027 Views |
August 19, 2024, 08:20 by zhangguangping |
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Transmission pathway per kpoint
Started by jalmeida |
2 Replies
25150 Views |
August 13, 2024, 15:00 by jalmeida |
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3 Replies
17904 Views |
August 12, 2024, 21:03 by Anders Blom |
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Help in python code
Started by Jahanzaib |
11 Replies
32342 Views |
August 12, 2024, 20:49 by Anders Blom |
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