Relativistic calculation of nuclear magnetic shielding using normalized elimination of the small component

K. Kudo; H. Maeda; T. Kawakubo; Y. Ootani; M. Funaki; H. Fukui

doi:10.1063/1.2204606

Relativistic calculation of nuclear magnetic shielding using normalized elimination of the small component

The Journal of Chemical Physics ◽

10.1063/1.2204606 ◽

2006 ◽

Vol 124 (22) ◽

pp. 224106 ◽

Cited By ~ 21

Author(s):

K. Kudo ◽

H. Maeda ◽

T. Kawakubo ◽

Y. Ootani ◽

M. Funaki ◽

...

Keyword(s):

Magnetic Shielding ◽

Small Component ◽

Relativistic Calculation ◽

Nuclear Magnetic

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Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. III. Introduction of gauge-including atomic orbitals and a finite-size nuclear model

The Journal of Chemical Physics ◽

10.1063/1.3028047 ◽

2008 ◽

Vol 129 (22) ◽

pp. 224103 ◽

Cited By ~ 17

Author(s):

S. Hamaya ◽

H. Maeda ◽

M. Funaki ◽

H. Fukui

Keyword(s):

Finite Size ◽

Magnetic Shielding ◽

Nuclear Model ◽

Small Component ◽

Atomic Orbitals ◽

Relativistic Calculation ◽

Regular Approximation ◽

Shielding Tensor ◽

Nuclear Magnetic

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Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. II. Consideration of perturbations in the metric operator

The Journal of Chemical Physics ◽

10.1063/1.2733650 ◽

2007 ◽

Vol 126 (17) ◽

pp. 174102 ◽

Cited By ~ 10

Author(s):

H. Maeda ◽

Y. Ootani ◽

H. Fukui

Keyword(s):

Magnetic Shielding ◽

Small Component ◽

Relativistic Calculation ◽

Metric Operator ◽

Regular Approximation ◽

Shielding Tensor ◽

Nuclear Magnetic

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Erratum: “Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. II. Consideration of perturbations in the metric operator” [J. Chem. Phys. 126, 174102 (2007)]

The Journal of Chemical Physics ◽

10.1063/1.2836431 ◽

2008 ◽

Vol 128 (12) ◽

pp. 129903 ◽

Cited By ~ 5

Author(s):

H. Maeda ◽

Y. Ootani ◽

H. Fukui

Keyword(s):

Chem Phys ◽

Magnetic Shielding ◽

Small Component ◽

Relativistic Calculation ◽

Metric Operator ◽

Regular Approximation ◽

Shielding Tensor ◽

Nuclear Magnetic

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Relativistic effects on nuclear magnetic shielding constants in HX and CH3X (X=Br,I) based on the linear response within the elimination of small component approach

The Journal of Chemical Physics ◽

10.1063/1.1787495 ◽

2004 ◽

Vol 121 (14) ◽

pp. 6798-6808 ◽

Cited By ~ 57

Author(s):

J. I. Melo ◽

M. C. Ruiz de Azua ◽

C. G. Giribet ◽

G. A. Aucar ◽

P. F. Provasi

Keyword(s):

Linear Response ◽

Relativistic Effects ◽

Magnetic Shielding ◽

Small Component ◽

Shielding Constants ◽

Component Approach ◽

Nuclear Magnetic

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Relativistic calculation of nuclear magnetic shielding tensor including two-electron spin-orbit interactions

The Journal of Chemical Physics ◽

10.1063/1.2361292 ◽

2006 ◽

Vol 125 (16) ◽

pp. 164106 ◽

Cited By ~ 12

Author(s):

Y. Ootani ◽

H. Yamaguti ◽

H. Maeda ◽

H. Fukui

Keyword(s):

Electron Spin ◽

Magnetic Shielding ◽

Spin Orbit ◽

Relativistic Calculation ◽

Shielding Tensor ◽

Spin Orbit Interactions ◽

Nuclear Magnetic

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NMR nuclear magnetic shielding anisotropy of linear molecules within the linear response within the elimination of the small component approach

The Journal of Chemical Physics ◽

10.1063/1.3528717 ◽

2011 ◽

Vol 134 (3) ◽

pp. 034123 ◽

Cited By ~ 10

Author(s):

Martín C. Ruiz de Azúa ◽

Claudia G. Giribet ◽

Juan I. Melo

Keyword(s):

Linear Response ◽

Magnetic Shielding ◽

Small Component ◽

Component Approach ◽

Linear Molecules ◽

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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ChemInform Abstract: NUCLEAR MAGNETIC SHIELDING OF HYDROGEN IN THE HYDRIDES OF THE ELEMENTS

Chemischer Informationsdienst ◽

10.1002/chin.197542002 ◽

1975 ◽

Vol 6 (42) ◽

pp. no-no

Author(s):

JOAN MASON

Keyword(s):

Magnetic Shielding ◽

Nuclear Magnetic

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Nuclear Magnetic Shielding in F2

The Journal of Chemical Physics ◽

10.1063/1.1671473 ◽

1969 ◽

Vol 50 (7) ◽

pp. 2839-2841 ◽

Cited By ~ 12

Author(s):

David K. Hindermann ◽

Lesley L. Williams

Keyword(s):

Magnetic Shielding ◽

Nuclear Magnetic

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