Calculation of NMR and EPR Parameters
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Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

9783527601677, 9783527307791

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Characterization of NMR Tensors via Experiment and Theory

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch27 ◽

2004 ◽

pp. 433-447 ◽

Author(s):

Roderick E. Wasylishen

Keyword(s):

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Spin-Spin Coupling Constants with HF and DFT Methods

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch7 ◽

2004 ◽

pp. 101-121 ◽

Author(s):

Trygve Helgaker ◽

Magdalena Pecul

Keyword(s):

Coupling Constants ◽

Spin Coupling ◽

Dft Methods ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Characterizing Two-Bond NMR 13C15N, 15N15N, and 19F15N Spin-Spin Coupling Constants across Hydrogen Bonds Using Ab Initio EOM-CCSD Calculations

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch22 ◽

2004 ◽

pp. 353-370 ◽

Author(s):

Janet E. Del Bene

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Alternative Fermi Contact Operators for EPR and NMR

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch31 ◽

2004 ◽

pp. 493-504 ◽

Author(s):

Vitaly A. Rassolov ◽

Daniel M. Chipman

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Theory of NMR Parameters. From Ramsey to Relativity, 1953 to 1983

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch2 ◽

2004 ◽

pp. 7-19 ◽

Author(s):

Pekka Pyykkö

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Molecular Dynamics and NMR Parameter Calculations

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch11 ◽

2004 ◽

pp. 175-189 ◽

Author(s):

Debra J. Searles ◽

Hanspeter Huber

Keyword(s):

Molecular Dynamics

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Fullerenes

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch25 ◽

2004 ◽

pp. 409-420 ◽

Author(s):

Thomas Heine

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Calculation of NMR Parameters in Carbocation Chemistry

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch23 ◽

2004 ◽

pp. 371-394 ◽

Author(s):

Hans-Ullrich Siehl ◽

Valerije Vrček

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DFT Calculations of EPR Hyperfine Coupling Tensors

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch29 ◽

2004 ◽

pp. 461-482 ◽

Author(s):

Markéta L. Munzarová

Keyword(s):

Dft Calculations ◽

Hyperfine Coupling

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Relativistic Calculations of Spin-Spin Coupling Constants of Heavy Nuclei

Calculation of NMR and EPR Parameters ◽

10.1002/3527601678.ch15 ◽

2004 ◽

pp. 249-264 ◽

Author(s):

Jochen Autschbach ◽

Tom Ziegler

Keyword(s):

Coupling Constants ◽

Spin Coupling ◽

Heavy Nuclei ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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