?-Electron ring currents, proton magnetic shielding, and the diamagnetic susceptibility of azoles in the MO LCAO SCF method

1979 ◽  
Vol 19 (4) ◽  
pp. 528-534 ◽  
Author(s):  
Yu. B. Vysotskii
Keyword(s):  
Diamagnetic Susceptibility ◽  
Magnetic Shielding ◽  
Ring Currents ◽  
Electron Ring

A variational method for calculating magnetic shielding constants in molecules

1957 ◽  
Vol 243 (1233) ◽  
pp. 264-273 ◽  
Keyword(s):  
Variational Method ◽  
Molecular Orbital ◽  
Diamagnetic Susceptibility ◽  
Valence Bond ◽  
Wave Functions ◽  
Magnetic Shielding ◽  
Magnetic Nucleus ◽  
Shielding Constants ◽  
Good Agreement

The general variational method is applied to the problem of calculating magnetic shielding constants in molecules. Using approximate variation functions together with simple molecular-orbital and valence-bond wave functions calculations have been made for the molecules hydrogen, methane, ethylene and acetylene. An approximation using the calculated diamagnetic susceptibility is used for electrons which are not localized near the magnetic nucleus considered. The results are in good agreement with experiment and in particular it is shown that the shielding constant for acetylene should lie between those for methane and ethylene.

π-Electron ring currents and magnetic properties of porphyrin molecules in the MO LCAO SCF method

1981 ◽  
Vol 59 (5) ◽  
pp. 467-485 ◽  
Author(s):  
Yuri B. Vysotsky ◽  
Valery A. Kuzmitsky ◽  
Konstantin N. Solovyov
Keyword(s):  
Magnetic Properties ◽  
Ring Currents ◽  
Electron Ring

π-Electron “ring currents” in dipleiadiene

1992 ◽  
Vol 260 ◽  
pp. 123-132 ◽  
Author(s):  
Branca R.M. de Castro ◽  
J.A.N.F. Gomes ◽  
R.B. Mallion
Keyword(s):  
Ring Currents ◽  
Electron Ring

π-Electron Ring-Currents and Bond-Currents in Some Conjugated Altan-Structures

2014 ◽  
Vol 118 (20) ◽  
pp. 3688-3697 ◽  
Author(s):  
Timothy K. Dickens ◽  
Roger B. Mallion
Keyword(s):  
Ring Currents ◽  
Electron Ring
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