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

Frontier molecular orbitals of heptalentropones, heptalendiones and their hydroxy and methoxy derivatives. An INDO/S study

1987 ◽  
Vol 84 ◽  
pp. 773-777
Author(s):  
Giuseppe Buemi ◽  
Felice Zuccarello
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

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

Effects of Nucleobase Metalation on Frontier Molecular Orbitals: Potential Implications for π-Stacking Interactions with Tryptophan

2008 ◽  
Vol 47 (22) ◽  
pp. 10425-10431 ◽  
Author(s):  
Atilio I. Anzellotti ◽  
Craig A. Bayse ◽  
Nicholas P. Farrell
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals ◽  
Stacking Interactions ◽  
Π Stacking

scholarly journals Design of Acceptors with Suitable Frontier Molecular Orbitals to Match Donors via Substitutions on Perylene Diimide for Organic Solar Cells

2016 ◽  
Vol 17 (5) ◽  
pp. 721 ◽  
Author(s):  
Xiaoli Lv ◽  
Zhuoxin Li ◽  
Songyang Li ◽  
Guoyou Luan ◽  
Dadong Liang ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Molecular Orbitals ◽  
Perylene Diimide ◽  
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

ChemInform Abstract: RATIONALISATION OF CYCLOADDITION BEHAVIOUR BY USE OF HUECKEL FRONTIER MOLECULAR ORBITALS

1975 ◽  
Vol 6 (49) ◽  
pp. no-no
Author(s):  
KING-LEUNG MOK ◽  
MARTIN J. NYE
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals
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