scholarly journals Modified INDO Calculations of the Electronic Structure of Transition Metal Carbonyl Compounds

1976 ◽  
Vol 49 (4) ◽  
pp. 929-932 ◽  
Author(s):  
Kazuyuki Tatsumi ◽  
Takayuki Fueno
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Carbonyl Compounds ◽  
Metal Carbonyl ◽  
Indo Calculations

scholarly journals Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls

2020 ◽  
Vol 22 (2) ◽  
pp. 781-798 ◽  
Author(s):  
Elliot Rossomme ◽  
Christianna N. Lininger ◽  
Alexis T. Bell ◽  
Teresa Head-Gordon ◽  
Martin Head-Gordon
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Driving Forces ◽  
Metal Carbonyl ◽  
Electronic Structure Calculations ◽  
Frequency Shifts ◽  
Structure Calculations

Our direct DFT decomposition of CO frequency shifts updates the paradigm for metal carbonyl binding.

Reactivity of an NHC-Coordinated Trisilacyclopropylidene with Transition Metal Carbonyl Compounds

2020 ◽  
Vol 39 (23) ◽  
pp. 4387-4394 ◽  
Author(s):  
Benedikt J. Guddorf ◽  
Milica Feldt ◽  
Alexander Hepp ◽  
Constantin G. Daniliuc ◽  
Felicitas Lips
Keyword(s):  
Transition Metal ◽  
Carbonyl Compounds ◽  
Metal Carbonyl
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