High-temperature absorption line shape parameters for CO2 in the 6800-7000 cm-1 region from dual frequency comb measurements up to 1000 K

2021 ◽  
pp. 107912
Author(s):  
Ryan K. Cole ◽  
Nazanin Hoghooghi ◽  
Brian J. Drouin ◽  
Gregory B. Rieker
Keyword(s):  
High Temperature ◽  
Absorption Line ◽  
Line Shape ◽  
Frequency Comb ◽  
Shape Parameters ◽  
Dual Frequency ◽  
Absorption Line Shape

scholarly journals The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach

2018 ◽  
Vol 17 (5) ◽  
pp. 552-560 ◽  
Author(s):  
Daniele Loco ◽  
Sandro Jurinovich ◽  
Lorenzo Cupellini ◽  
Maximilian F. S. J. Menger ◽  
Benedetta Mennucci
Keyword(s):  
Absorption Line ◽  
Line Shape ◽  
Inhomogeneous Broadening ◽  
Complex Matrices ◽  
Absorption Line Shape

We present a polarizable QM/MM strategy to simulate the absorption line shape of chromophores embedded in complex matrices, including both homogeneous and inhomogeneous broadening.

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