Problems in Perturbation Theory Calculation of Diamagnetic Susceptibility and Nuclear Magnetic Shielding in Molecules. Illustration with the Hydrogen Atom

Lawrence C. Snyder; Robert G. Parr

doi:10.1063/1.1731683

Problems in Perturbation Theory Calculation of Diamagnetic Susceptibility and Nuclear Magnetic Shielding in Molecules. Illustration with the Hydrogen Atom

The Journal of Chemical Physics ◽

10.1063/1.1731683 ◽

1961 ◽

Vol 34 (3) ◽

pp. 837-842 ◽

Cited By ~ 31

Author(s):

Lawrence C. Snyder ◽

Robert G. Parr

Keyword(s):

Perturbation Theory ◽

Hydrogen Atom ◽

Diamagnetic Susceptibility ◽

Magnetic Shielding ◽

Theory Calculation ◽

Nuclear Magnetic

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Nuclear magnetic shielding of a hydrogen atom in (1) an electric field-gradient and (2) a cage

Molecular Physics ◽

10.1080/00268976000100261 ◽

1960 ◽

Vol 3 (3) ◽

pp. 219-222 ◽

Cited By ~ 36

Author(s):

A.D. Buckingham ◽

K.P. Lawley

Keyword(s):

Hydrogen Atom ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Magnetic Shielding ◽

Nuclear Magnetic

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Ab initio finite perturbation theory calculations of nuclear magnetic-shielding tensors of Li+ and Na+ complexes

Chemical Physics Letters ◽

10.1016/0009-2614(90)80038-f ◽

1990 ◽

Vol 166 (3) ◽

pp. 326-330 ◽

Cited By ~ 1

Author(s):

R. Nirmala ◽

S. Subramanian

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Magnetic Shielding ◽

Finite Perturbation ◽

Shielding Tensors ◽

Nuclear Magnetic Shielding Tensors ◽

Nuclear Magnetic

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Nuclear magnetic shielding of a hydrogen atom in an electric field

Molecular Physics ◽

10.1080/00268975800100251 ◽

1958 ◽

Vol 1 (3) ◽

pp. 199-202 ◽

Cited By ~ 117

Author(s):

T.W. Marshall ◽

J.A. Pople

Keyword(s):

Hydrogen Atom ◽

Electric Field ◽

Magnetic Shielding ◽

Nuclear Magnetic

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The Xα method with AB initio exchange parameters, diamagnetic susceptibility and nuclear magnetic shielding constants for several atoms

Acta Physica Hungarica ◽

10.1007/bf03155702 ◽

1985 ◽

Vol 58 (1-2) ◽

Author(s):

R. Gáspár ◽

Á. Nagy

Keyword(s):

Ab Initio ◽

Diamagnetic Susceptibility ◽

Magnetic Shielding ◽

Shielding Constants ◽

Exchange Parameters ◽

Nuclear Magnetic

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NUCLEAR MAGNETIC SHIELDING OF A HYDROGEN ATOM IN THE FIELD OF AN ELECTRIC DIPOLE

10.2172/4656743 ◽

1965 ◽

Author(s):

E.M. Roberts

Keyword(s):

Hydrogen Atom ◽

Electric Dipole ◽

Magnetic Shielding ◽

Nuclear Magnetic

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Nuclear magnetic shielding and diamagnetic susceptibility of interacting hydrogen atoms

Molecular Physics ◽

10.1080/00268976000100401 ◽

1960 ◽

Vol 3 (4) ◽

pp. 339-349 ◽

Cited By ~ 36

Author(s):

T.W. Marshall ◽

J.A. Pople

Keyword(s):

Diamagnetic Susceptibility ◽

Magnetic Shielding ◽

Hydrogen Atoms ◽

Nuclear Magnetic

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On the variational calculation of the diamagnetic susceptibility and nuclear magnetic shielding in molecules

Molecular Physics ◽

10.1080/00268976300101251 ◽

1964 ◽

Vol 7 (5) ◽

pp. 473-476 ◽

Cited By ~ 2

Author(s):

A.K. Raychaudhuri ◽

S.K. Sinha

Keyword(s):

Diamagnetic Susceptibility ◽

Variational Calculation ◽

Magnetic Shielding ◽

Nuclear Magnetic

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Nuclear magnetic shielding at large distances of a hydrogen atom in an electric field

Il Nuovo Cimento ◽

10.1007/bf02726442 ◽

1959 ◽

Vol 11 (3) ◽

pp. 395-400 ◽

Cited By ~ 5

Author(s):

H. F. Hameka

Keyword(s):

Hydrogen Atom ◽

Electric Field ◽

Magnetic Shielding ◽

Nuclear Magnetic

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13C and 1H nuclear magnetic shielding and spin–spin coupling constants of 13C-enriched iodomethane in gaseous mixtures with SF6 and CO2

Journal of Molecular Structure ◽

10.1016/j.molstruc.2003.11.061 ◽

2004 ◽

Vol 704 (1-3) ◽

pp. 311-313 ◽

Cited By ~ 10

Author(s):

Marcin Wilczek ◽

Marek Kubiszewski ◽

Karol Jackowski

Keyword(s):

Coupling Constants ◽

Spin Coupling ◽

Magnetic Shielding ◽

Gaseous Mixtures ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Nuclear Magnetic

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On the convergence ofMBPT andCC nuclear magnetic shielding constants ofBH toward the fullCI limit

International Journal of Quantum Chemistry ◽

10.1002/qua.560560847 ◽

1995 ◽

Vol 56 (S29) ◽

pp. 437-442 ◽

Cited By ~ 21

Author(s):

J�rgen Gauss ◽

Kenneth Ruud

Keyword(s):

Magnetic Shielding ◽

Shielding Constants ◽

Nuclear Magnetic

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