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Plain Text - 44.9 MB - SHA-256: 6e3cb409e155c7c03c238132889ca65e73adb7c28c6351bfff7f7994b0e3be0f
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Plain Text - 44.9 MB - SHA-256: 85dced9d9ecc98949fd07a49220a95ce396ab5211b0bd7e774d06b897aecda97
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Plain Text - 44.9 MB - SHA-256: a07fabadfba707976d88710f70765094614c7539b3853ed63f4aac27733e2417
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Plain Text - 44.9 MB - SHA-256: 9a70948f1ee2ab0a4984ad8b3987fb29877aed1549efaae8d5004c9371141518
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Plain Text - 15.7 MB - SHA-256: ab20c97bb502c298ad4b1be63fac13812dfd05722b79706eeae99bc742157289
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Apr 14, 2022
Arefi, Hadi H.; Corken, Daniel; Tautz, F. Stefan; Maurer, Reinhard J.; Wagner, Christian, 2022, "Data used in: Design Principles for Metastable Standing Molecules", https://doi.org/10.26165/JUELICH-DATA/UHTXCG, Jülich DATA, V3
This data set contains computational data (atomic structures, potential energy profiles) used in our DFT study "Design Principles for Metastable Standing Molecules" DOI 10.1021/acs.jpcc.2c01514 |
Unknown - 373.2 KB - SHA-256: 4cd8e04b5bd18352264a4b0856a708c1bc1e900e3cf0855f7761c6aa0c0f7cbf
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Unknown - 8.1 KB - SHA-256: ba891c9a0b07fdcb13c83f825331c15377a76186d1c8b6efb4c02079f7b87454
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Unknown - 99.4 KB - SHA-256: d97ff953ca505db38aa8c86929734ce1b4265986314d64e61dabe2caa22727d6
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