The “Silent CO”: a new technique for calculating transition metal carbonyl force fields

2022 ◽  
Author(s):  
John Anthony Timney ◽  
James J Turner

The notion of a "silent CO group" (effectively an infinitely heavy CO group) is introduced to enable energy-factored force fields to be estimated accurately for molecules where there are fewer...

2005 ◽  
Vol 25 (1_suppl) ◽  
pp. S543-S543
Author(s):  
Satoshi Kimura ◽  
Keigo Matsumoto ◽  
Yoshio Imahori ◽  
Katsuyoshi Mineura ◽  
Toshiyuki Itoh

2009 ◽  
Vol 56 (S 01) ◽  
Author(s):  
J Bickenbach ◽  
R Rossaint ◽  
R Autschbach ◽  
R Dembinski

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