Frontier molecular orbitals. A link between kinetics and bonding theory

1973 ◽  
Vol 50 (7) ◽  
pp. 463 ◽  
Author(s):  
J. D. Bradley ◽  
G. C. Gerrans
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals ◽  
Bonding Theory

Prediction of Antiglycation Activity by Calculating the Energies of Frontier Molecular Orbitals for New 4-Hydroxy-1,4-Dihydroazolo[5,1-c]-1,2,4-Triazines Used as an Example

2020 ◽  
Vol 46 (6) ◽  
pp. 1278-1284
Author(s):  
R. A. Litvinov ◽  
R. A. Drokin ◽  
D. D. Shamshina ◽  
M. Yu. Kalenova ◽  
L. E. Usmianova ◽  
...  
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

Polarized .pi.-frontier molecular orbitals. A method for predicting diastereofacial selectivities

1993 ◽  
Vol 115 (10) ◽  
pp. 4024-4030 ◽  
Author(s):  
Xiao Ling Huang ◽  
J. J. Dannenberg ◽  
Miquel Duran ◽  
Juan Bertran
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

scholarly journals  -Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity

2012 ◽  
Vol 109 (36) ◽  
pp. 14326-14331 ◽  
Author(s):  
M. Srnec ◽  
S. D. Wong ◽  
J. England ◽  
L. Que ◽  
E. I. Solomon
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals ◽  
Ferryl Species
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