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Unknown - 3.6 MB - MD5: 5b11549406bd1c7a268887a67a4061b5
DFT-D3 B3LYP 6-31G(d,p) PCM single-point NBO output data.
Unknown - 3.6 MB - MD5: f4f979733b9f3e4c3b7fbc453fc57405
DFT-D3 B3LYP 6-31G(d,p) PCM single-point NBO (NLMO) output data.
Unknown - 3.6 MB - MD5: 94cb068b70171b932c6be3d8e663a3d3
DFT-D3 B3LYP 6-31G(d,p) PCM single-point NBO (MO) output data.
Unknown - 20.0 KB - MD5: 115af244ce09d8e70281ba5c4d23da36
DFT-D3 B3LYP 6-31G(d,p) PCM single-point NBO output data.
Plain Text - 1.1 MB - MD5: 613bf59e6846ef9ee729538829746996
DFT B3LYP 6-31G(d,p) transition state geometry. PCM single-point NBO energy data.
Adobe PDF - 59.8 KB - MD5: b32955a7219c171c0095b16bf35ea35c
License agreement to obtain the access to the dataset.
R Syntax - 6.3 KB - MD5: fa0cbd1c6bce976dfb1499b43b2a5e29
R Syntax - 2.9 KB - MD5: 22ec0f11b8adbd579905784a4dd5d170
R Syntax - 3.8 KB - MD5: 40a88b023c4bdc174f1abd4871cdfd6c
R Syntax - 4.0 KB - MD5: f5bb8822e7731f1a462c3f32e7cfdc89
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