scholarly journals The universal pitch conversion rate constants of Cold Lake vacuum bottoms in the CANMET hydrocracking process

1982 ◽  
Author(s):  
D D S Liu ◽  
D J Patmore
Keyword(s):  
Rate Constants ◽  
Conversion Rate ◽  
Hydrocracking Process ◽  
Cold Lake

scholarly journals First-principles calculations of anharmonic and deuteration effects on the photophysical properties of polyacenes and porphyrinoids

2020 ◽  
Vol 22 (39) ◽  
pp. 22314-22323 ◽  
Author(s):  
R. R. Valiev ◽  
R. T. Nasibullin ◽  
V. N. Cherepanov ◽  
G. V. Baryshnikov ◽  
D. Sundholm ◽  
...  
Keyword(s):  
Rate Constants ◽  
First Principles ◽  
Conversion Rate ◽  
Internal Conversion ◽  
Photophysical Properties ◽  
New Method ◽  
Lagrangian Multiplier ◽  
First Principles Calculations ◽  
Anharmonic Effects

A new method for calculating internal conversion rate constants (kIC), including anharmonic effects and using the Lagrangian multiplier technique, is proposed.

Fast estimation of the internal conversion rate constant in photophysical applications

2021 ◽  
Vol 23 (11) ◽  
pp. 6344-6348
Author(s):  
R. R. Valiev ◽  
R. T. Nasibullin ◽  
V. N. Cherepanov ◽  
A. Kurtsevich ◽  
D. Sundholm ◽  
...  
Keyword(s):  
Rate Constant ◽  
Efficient Method ◽  
Rate Constants ◽  
Conversion Rate ◽  
Internal Conversion ◽  
Matrix Elements ◽  
Coupling Matrix ◽  
Fast Estimation

An efficient method for estimating non-adiabatic coupling matrix elements (NACME) and rate constants for internal conversion (kIC) is presented.

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