Theoretical studies of heavy‐atom magnetic shielding in some small polyatomic molecules

1974 ◽  
Vol 60 (7) ◽  
pp. 2574-2583 ◽  
Author(s):  
B. R. Appleman ◽  
T. Tokuhiro ◽  
G. Fraenkel ◽  
C. W. Kern
Keyword(s):  
Heavy Atom ◽  
Polyatomic Molecules ◽  
Magnetic Shielding ◽  
Theoretical Studies

scholarly journals Very Low Energy Collision Induced Vibrational Relaxation: An Overview

1983 ◽  
Vol 2 (3-4) ◽  
pp. 137-166 ◽  
Author(s):  
Stuart A. Rice ◽  
Charles Cerjan
Keyword(s):  
Vibrational Relaxation ◽  
Polyatomic Molecules ◽  
Low Energy ◽  
Quantum Mechanical ◽  
Theoretical Studies ◽  
The Novel ◽  
Energy Collision ◽  
Quantum Mechanical Treatment ◽  
Experimental And Theoretical Studies ◽  
Full Quantum

Recent experimental and theoretical studies of very low energy collision induced vibrational relaxation in diatomic and polyatomic molecules are surveyed. Emphasis is placed on the novel features of the very low energy process; these require a full quantum mechanical treatment of the collision to account for the observations.

Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines

RSC Advances ◽  
2015 ◽  
Vol 5 (72) ◽  
pp. 58854-58864 ◽  
Author(s):  
Saad Makhseed ◽  
Basma Ghazal ◽  
Amr Mohamed Abdelmoniem ◽  
Veronika Novakova ◽  
Petr Zimcik
Keyword(s):  
Singlet Oxygen ◽  
Electronic Structures ◽  
Heavy Atom ◽  
Experimental Results ◽  
Quantum Yields ◽  
Theoretical Studies ◽  
Computational Studies ◽  
Two Dimensional ◽  
Heavy Atom Effect ◽  
Atom Effect

Computational studies validated the experimental results and revealing details about the electronic structures of novel halogenated phthalocyanines. Fluorescence and singlet oxygen quantum yields analysis revealed two-dimensional heavy atom effect.

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