TY  - GEN
AU  - Marx,Frans T I
AU  - Jordaan,Johan H L
AU  - Vosloo,Hermanus C M
TI  - DFT investigation of the 1-octene metathesis reaction mechanism with the Phobcat precatalyst
SN  - 0948-5023
PY  - 2010///0203
KW  - Alkenes
KW  - chemistry
KW  - Catalysis
KW  - Cyclization
KW  - Electrons
KW  - Isomerism
KW  - Models, Chemical
KW  - Organometallic Compounds
KW  - Reproducibility of Results
KW  - Rotation
KW  - Software
KW  - Transition Elements
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1007/s00894-009-0513-2
ER  -