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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 80, 1993 - Issue 1
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Research note

Electron-correlated calculations of the nuclear shielding constants and shielding polarizabilities for H2, N2, HF and CO

David M. Bishop Department of Chemistry, University of Ottawa, Ottawa, Canada, K1N 6N5
&
SŁawomir M. Cybulski Department of Chemistry, University of Ottawa, Ottawa, Canada, K1N 6N5
Pages 209-211 | Received 15 Jan 1993, Accepted 15 Feb 1993, Published online: 23 Aug 2006

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SLAWOMIR M. CYBULSKI & DAVID M. BISHOP. (1998) Calculation of magnetic properties VII. Electron-correlated magnetizability polarizabilities and nuclear shielding polarizabilities for nine small molecules. Molecular Physics 93:5, pages 739-750.
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Articles from other publishers (20)

M. B. Ferraro, M. C. Caputo, G. I. Pagola & P. Lazzeretti. (2008) Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules. The Journal of Chemical Physics 128:4.
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P. Lazzeretti, M. B. Ferraro, G. I. Pagola & M. C. Caputo. (2007) Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density. Theoretical Chemistry Accounts 118:5-6, pages 863-868.
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W. T. Raynes. 2007. Encyclopedia of Magnetic Resonance. Encyclopedia of Magnetic Resonance.
Magdalena Pecul, Trond Saue, Kenneth Ruud & Antonio Rizzo. (2004) Electric field effects on the shielding constants of noble gases: A four-component relativistic Hartree-Fock study. The Journal of Chemical Physics 121:7, pages 3051-3057.
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Paolo Lazzeretti. (2003) Electric field gradient effects on nuclear magnetic shieldings. Journal of Molecular Structure: THEOCHEM 633:2-3, pages 105-111.
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Antonio Rizzo & Jürgen Gauss. (2002) Shielding polarizabilities calculated at the coupled-cluster singles and doubles level augmented by a perturbative treatment of triple excitations. The Journal of Chemical Physics 116:3, pages 869-877.
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C.E. Dykstra. (2001) Intermolecular electrical response. Journal of Molecular Structure: THEOCHEM 573:1-3, pages 63-71.
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Pablo J. Bruna, Michel R.J. Hachey & Friedrich Grein. (1997) Benchmark ab initio calculations of formaldehyde, H2CO. Journal of Molecular Structure: THEOCHEM 400, pages 177-221.
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Sonia Coriani, Antonio Rizzo, Kenneth Ruud & Trygve Helgaker. (1997) Cotton-Mouton effect and shielding polarizabilities of ethylene: An MCSCF study. Chemical Physics 216:1-2, pages 53-66.
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D.B. Chesnut. (1997) On the calculation of hydrogen NMR chemical shielding. Chemical Physics 214:1, pages 73-79.
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Cynthia Jameson. 1997. Optical, Electric and Magnetic Properties of Molecules. Optical, Electric and Magnetic Properties of Molecules 303 317 .
D.B. Chesnut & E.F.C. Byrd. (1996) The use of locally dense basis sets in correlated NMR chemical shielding calculations. Chemical Physics 213:1-3, pages 153-158.
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Cynthia J. Jameson. (1996) UNDERSTANDING NMR CHEMICAL SHIFTS. Annual Review of Physical Chemistry 47:1, pages 135-169.
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Sławomir M. Cybulski & David M. Bishop. (1996) Electron-correlated calculations of the nuclear-shielding polarizability and magnetizability polarizability of H2, N2, HF, and CO. Chemical Physics Letters 250:5-6, pages 471-476.
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D.B. Chesnut. (1995) An approximate infinite order perturbation theory prescription for isotropic NMR chemical shieldings. Chemical Physics Letters 246:3, pages 235-238.
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Jürgen Gauss & John F. Stanton. (1995) Gauge-invariant calculation of nuclear magnetic shielding constants at the coupled–cluster singles and doubles level. The Journal of Chemical Physics 102:1, pages 251-253.
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J.D. Augspurger & C.E. Dykstra. 1995. 1 36 .
H. Fukui, T. Baba, H. Matsuda & K. Miura. (1994) Calculation of nuclear magnetic shieldings. IX. Electron correlation effects. The Journal of Chemical Physics 100:9, pages 6608-6613.
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David M. Bishop & Sl/awomir M. Cybulski. (1994) Calculation of the electric field gradients, generalized Sternheimer shielding constants, and electric-field-gradient polarizabilities for ten small molecules. The Journal of Chemical Physics 100:9, pages 6628-6632.
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Martin Grayson & William T. Raynes. (1994) Electric field effects on proton magnetic shielding in some binary hydrides. Chemical Physics Letters 218:3, pages 270-275.
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