Calculations of proton magnetic shielding constants in polyatomic molecules

Paolo Lazzeretti; Riccardo Zanasi

doi:10.1063/1.435816

Calculations of proton magnetic shielding constants in polyatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.435816 ◽

1978 ◽

Vol 68 (3) ◽

pp. 832-839 ◽

Cited By ~ 33

Author(s):

Paolo Lazzeretti ◽

Riccardo Zanasi

Keyword(s):

Polyatomic Molecules ◽

Magnetic Shielding ◽

Shielding Constants

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Magnetic Properties of Polyatomic Molecules. II. Proton Magnetic Shielding Constants in H2O, NH3, CH4, and CH3F

The Journal of Chemical Physics ◽

10.1063/1.1672957 ◽

1970 ◽

Vol 52 (12) ◽

pp. 6411-6415 ◽

Cited By ~ 68

Author(s):

G. P. Arrighini ◽

M. Maestro ◽

R. Moccia

Keyword(s):

Magnetic Properties ◽

Polyatomic Molecules ◽

Magnetic Shielding ◽

Shielding Constants

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Calculations of the magnetic shielding constants of heavy nuclei in polyatomic molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.560120109 ◽

1977 ◽

Vol 12 (1) ◽

pp. 93-103 ◽

Cited By ~ 35

Author(s):

P. Lazzeretti ◽

R. Zanasi

Keyword(s):

Polyatomic Molecules ◽

Magnetic Shielding ◽

Heavy Nuclei ◽

Shielding Constants

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Erratum: Magnetic Properties of Polyatomic Molecules. II. Proton Magnetic Shielding Constants in H2O, NH3, CH4, and CH3F

The Journal of Chemical Physics ◽

10.1063/1.1674928 ◽

1971 ◽

Vol 54 (2) ◽

pp. 825-825 ◽

Cited By ~ 8

Author(s):

G. P. Arrighini ◽

M. Maestro ◽

R. Moccia

Keyword(s):

Magnetic Properties ◽

Polyatomic Molecules ◽

Magnetic Shielding ◽

Shielding Constants

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Magnetic properties of polyatomic molecules. III. Magnetic shielding constants of heavy nuclei in H217O, 14NH3, 13CH4 and 13CH3F

Chemical Physics Letters ◽

10.1016/0009-2614(70)80180-4 ◽

1970 ◽

Vol 7 (3) ◽

pp. 351-353 ◽

Cited By ~ 34

Author(s):

G.P. Arrighini ◽

M. Maestro ◽

R. Moccia

Keyword(s):

Magnetic Properties ◽

Polyatomic Molecules ◽

Magnetic Shielding ◽

Heavy Nuclei ◽

Shielding Constants

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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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Dirac–Fock calculations of the magnetic shielding constants of protons and heavy nuclei in XH2 (X=O, S, Se, and Te): a comparison with quasi-relativistic calculations

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00375-4 ◽

2000 ◽

Vol 321 (5-6) ◽

pp. 452-458 ◽

Cited By ~ 36

Author(s):

Masahiko Hada ◽

Ryoichi Fukuda ◽

Hiroshi Nakatsuji

Keyword(s):

Magnetic Shielding ◽

Heavy Nuclei ◽

Shielding Constants

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Effect of perturbation of the atomic basis on nuclear magnetic shielding constants for small molecules

Theoretical and Experimental Chemistry ◽

10.1007/bf00534415 ◽

1989 ◽

Vol 24 (5) ◽

pp. 511-515 ◽

Cited By ~ 1

Author(s):

E. O. Voronkov ◽

V. V. Kuz'menko ◽

V. V. Rossikhin

Keyword(s):

Small Molecules ◽

Magnetic Shielding ◽

Shielding Constants ◽

Nuclear Magnetic

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Theoretical studies of heavy‐atom magnetic shielding in some small polyatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.1681409 ◽

1974 ◽

Vol 60 (7) ◽

pp. 2574-2583 ◽

Cited By ~ 35

Author(s):

B. R. Appleman ◽

T. Tokuhiro ◽

G. Fraenkel ◽

C. W. Kern

Keyword(s):

Heavy Atom ◽

Polyatomic Molecules ◽

Magnetic Shielding ◽

Theoretical Studies

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INDO [intermediate neglect of differential overlap] perturbation theory of magnetic shielding constants. Cabon-13 chemical shifts

Journal of the American Chemical Society ◽

10.1021/ja00767a002 ◽

1972 ◽

Vol 94 (12) ◽

pp. 4069-4076 ◽

Cited By ~ 66

Author(s):

Paul D. Ellis ◽

Gary E. Maciel ◽

James W. McIver

Keyword(s):

Perturbation Theory ◽

Chemical Shifts ◽

Magnetic Shielding ◽

Shielding Constants ◽

Neglect Of Differential Overlap

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Four-component relativistic theory for nuclear magnetic shielding constants: The orbital decomposition approach

The Journal of Chemical Physics ◽

10.1063/1.2565724 ◽

2007 ◽

Vol 126 (8) ◽

pp. 081101 ◽

Cited By ~ 51

Author(s):

Yunlong Xiao ◽

Daoling Peng ◽

Wenjian Liu

Keyword(s):

Relativistic Theory ◽

Magnetic Shielding ◽

Decomposition Approach ◽

Orbital Decomposition ◽

Shielding Constants ◽

Nuclear Magnetic

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