A correlation between the boron-hydrogen stretching frequency and the boron-hydrogen nuclear magnetic coupling constant

1967 ◽  
Vol 6 (5) ◽  
pp. 1068-1070 ◽  
Author(s):  
Haruyuki Watanabe ◽  
Koichiro Nagasawa
Keyword(s):  
Magnetic Coupling ◽  
Coupling Constant ◽  
Magnetic Coupling Constant ◽  
Nuclear Magnetic

Intra-molecular magnetic exchange interaction in the tripyridinium bis[tetrachloroferrate(iii)] chloride molecular magnet: a broken symmetry-DFT study

2015 ◽  
Vol 17 (29) ◽  
pp. 19119-19125 ◽  
Author(s):  
F. Baniasadi ◽  
M. M. Tehranchi ◽  
M. B. Fathi ◽  
N. Safari ◽  
V. Amani
Keyword(s):  
Magnetic Coupling ◽  
Dft Method ◽  
Broken Symmetry ◽  
Molecular Magnet ◽  
Coupling Constant ◽  
Magnetic Exchange Interaction ◽  
Magnetic Exchange ◽  
Electronic Spin ◽  
Density Maps ◽  
Magnetic Coupling Constant

A superexchange interaction path between Fe–Fe in (FeCl4)2(py·H)3Cl is illustrated making use of electronic spin density maps (ESDM) and the magnetic coupling constant is calculated using the BS-DFT method as JFe–Fe = 13.2062 kJ mol−1.

Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases

2016 ◽  
Vol 18 (27) ◽  
pp. 18365-18380 ◽  
Author(s):  
Lorenzo Tenti ◽  
Daniel Maynau ◽  
Celestino Angeli ◽  
Carmen J. Calzado
Keyword(s):  
Low Cost ◽  
Valence Bond ◽  
Magnetic Coupling ◽  
Coupling Constants ◽  
Coupling Constant ◽  
Multicopper Oxidases ◽  
Valence Bond Theory ◽  
Bond Theory ◽  
Rational Evaluation ◽  
Magnetic Coupling Constant

A new perturbative + variational strategy: a low-cost, quantitative and rational evaluation of the magnetic coupling constant in complex systems.

Change in torque transmitted by a standard magnetic coupling with the same overall dimensions, depending on the grade of permanent magnet and its dimensions

2021 ◽  
pp. 30-34
Author(s):  
Keyword(s):  
Permanent Magnet ◽  
Permanent Magnets ◽  
Magnetic Coupling ◽  
Coupling Constant ◽  
Air Gaps ◽  
Neodymium Iron Boron ◽  
Magnetic Couplings ◽  
Magnetic Coupling Constant

The possibility of changing the torque transmitted by a cylindrical magnetic coupling, depending on the brand of a high-coercive permanent magnet — neodymium— iron—boron, samarium—cobalt is considered. Using the example of standard magnetic couplings with a diameter of 133 mm for magnets and air gaps between the half couplings for magnets of 5 and 7 mm, the change in the torque transmitted by the magnetic coupling without changing its overall dimensions is shown. Varying the torque of the magnetic coupling is possible by changing the shape, size and grade of permanent magnets while keeping the same number of magnets in each of the half-couplings of the magnetic coupling constant. Keywords; magnetic coupling, permanent magnet, number of magnets. [email protected]

Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study

2012 ◽  
Vol 33 (23) ◽  
pp. 1845-1853 ◽  
Author(s):  
Hanna Kjaer ◽  
Monia R. Nielsen ◽  
Gabriel I. Pagola ◽  
Marta B. Ferraro ◽  
Paolo Lazzeretti ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Correlation Study ◽  
Basis Set ◽  
Coupling Constant ◽  
J Coupling ◽  
Nuclear Magnetic
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