TY  - GEN
AU  - Su,Neil Qiang
AU  - Pernot,Pascal
AU  - Xu,Xin
AU  - Savin,Andreas
TI  - When does a functional correctly describe both the structure and the energy of the transition state?
SN  - 0948-5023
PY  - 2018///0320
N1  - Publication Type: Journal Article
UR  - https://doi.org/10.1007/s00894-017-3229-8
ER  -