Magnetic Susceptibility Tensor and Heme Contact Shifts Determinations in theRhodobactercapsulatusFerricytochromec‘: NMR and Magnetic Susceptibility Studies

An expression for the magnetic susceptibility tensor corresponding to diamagnetic contribution in tetrahedrally bonded semiconductors is derived; this formulation refers to the crystalline state. In addition, a comparison with the amorphous case is outlined.

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Direct measurement of the magnetic susceptibility tensor elements in 1,3-cyclohexadiene and comparison with benzene and other small ring compounds

Journal of the American Chemical Society ◽

10.1021/ja01049a067 ◽

1969 ◽

Vol 91 (21) ◽

pp. 5928-5929 ◽

Cited By ~ 15

Author(s):

J. M. Pochan ◽

Willis H. Flygare

Keyword(s):

Magnetic Susceptibility ◽

Direct Measurement ◽

Small Ring ◽

Susceptibility Tensor ◽

Magnetic Susceptibility Tensor ◽

Ring Compounds

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Magnetic Susceptibility Tensor Anisotropies for a Lanthanide Ion Series in a Fixed Protein Matrix

Journal of the American Chemical Society ◽

10.1021/ja0028626 ◽

2001 ◽

Vol 123 (18) ◽

pp. 4181-4188 ◽

Cited By ~ 116

Author(s):

Ivano Bertini ◽

Matthias B. L. Janik ◽

Yong-Min Lee ◽

Claudio Luchinat ◽

Antonio Rosato

Keyword(s):

Magnetic Susceptibility ◽

Protein Matrix ◽

Lanthanide Ion ◽

Susceptibility Tensor ◽

Magnetic Susceptibility Tensor

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NMR determination of the orientation of the magnetic susceptibility tensor in cyanometmyoglobin: a new probe of steric tilt of bound ligand

Biochemistry ◽

10.1021/bi00458a029 ◽

1990 ◽

Vol 29 (6) ◽

pp. 1556-1566 ◽

Cited By ~ 112

Author(s):

S. Donald Emerson ◽

Gerd N. La Mar

Keyword(s):

Magnetic Susceptibility ◽

Susceptibility Tensor ◽

Magnetic Susceptibility Tensor

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Finite Perturbation Studies of Magnetic Susceptibility and Shielding with GIAO

Zeitschrift für Naturforschung A ◽

10.1515/zna-1977-0505 ◽

1977 ◽

Vol 32 (5) ◽

pp. 411-414 ◽

Cited By ~ 9

Author(s):

Matjaž Žaucer ◽

Danilo Pumpernik ◽

Milan Hladnik ◽

Andrej Ažman

Keyword(s):

Magnetic Susceptibility ◽

Perturbation Method ◽

Ab Initio ◽

Basis Set ◽

Magnetic Shielding ◽

Gauge Invariant ◽

Susceptibility Tensor ◽

Atomic Orbitals ◽

Magnetic Susceptibility Tensor ◽

Finite Perturbation

Abstract The magnetic susceptibility tensor and proton and fluorine magnetic shielding tensors are cal culated for F2 and (FHF)- using an ab initio finite perturbation method with gauge-invariant atomic orbitals (GIAO). The discussion of the basis set deficiency shows that the calculated values for the susceptibilities are reliable. Simple additivity (Pascal rule) for the susceptibility is con firmed.

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