Published October 1, 2018 | Version v1
Dataset Open

Heterobiaryl synthesis by contractive C–C coupling via P(V) intermediates

Description

This data-set includes the output files of DFT (wB97XD) optimizations and DLPNO-CCSD(T) single-point energy calculations performed as part of the above paper.

Files

[Int-I].zip

Files (71.3 MB)

Name Size Download all
md5:edafbf7ba5a908020d6efd69d0e79dfc
24.3 MB Preview Download
md5:cb47788eb53a3f2ae88a0b89c9266a25
24.5 MB Preview Download
md5:918a35912dafc62b8e78f453b5dfa611
22.6 MB Preview Download
md5:383bd4148fd2ed44f7beb4860dcf2bf6
1.0 kB Preview Download