Zeroth order regular approximation approach to parity violating nuclear magnetic resonance shielding tensors

Sophie Nahrwold; Robert Berger

doi:10.1063/1.3103643

Zeroth order regular approximation approach to parity violating nuclear magnetic resonance shielding tensors

The Journal of Chemical Physics ◽

10.1063/1.3103643 ◽

2009 ◽

Vol 130 (21) ◽

pp. 214101 ◽

Cited By ~ 26

Author(s):

Sophie Nahrwold ◽

Robert Berger

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Zeroth Order ◽

Approximation Approach ◽

Regular Approximation ◽

Shielding Tensors ◽

Nuclear Magnetic

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Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation (ZORA) for relativistic effects: ZORA nuclear magnetic resonance

The Journal of Chemical Physics ◽

10.1063/1.478680 ◽

1999 ◽

Vol 110 (16) ◽

pp. 7689-7698 ◽

Cited By ~ 343

Author(s):

S. K. Wolff ◽

T. Ziegler ◽

E. van Lenthe ◽

E. J. Baerends

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Density Functional Calculations ◽

Density Functional ◽

Relativistic Effects ◽

Zeroth Order ◽

Regular Approximation ◽

Nuclear Magnetic

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Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

The Journal of Chemical Physics ◽

10.1063/1.4882678 ◽

2014 ◽

Vol 140 (23) ◽

pp. 234106 ◽

Cited By ~ 24

Author(s):

Timothy F. G. Green ◽

Jonathan R. Yates

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Zeroth Order ◽

Regular Approximation ◽

J Coupling ◽

Nuclear Magnetic

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Relativistic nuclear magnetic resonance chemical shifts of heavy nuclei with pseudopotentials and the zeroth-order regular approximation

The Journal of Chemical Physics ◽

10.1063/1.1541625 ◽

2003 ◽

Vol 118 (13) ◽

pp. 5746-5753 ◽

Cited By ~ 63

Author(s):

Jonathan R. Yates ◽

Chris J. Pickard ◽

Mike C. Payne ◽

Francesco Mauri

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Chemical Shifts ◽

Heavy Nuclei ◽

Zeroth Order ◽

Regular Approximation ◽

Nuclear Magnetic

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Nuclear magnetic resonance studies of 1H in zirconium halide hydrides: Shielding tensors

The Journal of Chemical Physics ◽

10.1063/1.437277 ◽

1979 ◽

Vol 70 (10) ◽

pp. 4552-4556 ◽

Cited By ~ 19

Author(s):

P. Dubois Murphy ◽

B. C. Gerstein

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Studies ◽

Shielding Tensors ◽

Nuclear Magnetic

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Principal components of the cadmium-113 shielding tensors in cadmium sulfate hydrates: a nuclear magnetic resonance study of cadmium coordinated with oxygen

Journal of the American Chemical Society ◽

10.1021/ja00402a008 ◽

1981 ◽

Vol 103 (12) ◽

pp. 3282-3286 ◽

Cited By ~ 31

Author(s):

P. DuBois Murphy ◽

B. C. Gerstein

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Principal Components ◽

Nuclear Magnetic Resonance Study ◽

Magnetic Resonance Study ◽

Cadmium Sulfate ◽

Shielding Tensors ◽

Nuclear Magnetic

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ChemInform Abstract: PRINCIPAL COMPONENTS OF THE CADMIUM-113 SHIELDING TENSORS IN CADMIUM SULFATE HYDRATES: NUCLEAR MAGNETIC RESONANCE STUDY OF CADMIUM COORDINATED WITH OXYGEN

Chemischer Informationsdienst ◽

10.1002/chin.198138012 ◽

1981 ◽

Vol 12 (38) ◽

Author(s):

P. DUBOIS MURPHY ◽

B. C. GERSTEIN

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Principal Components ◽

Nuclear Magnetic Resonance Study ◽

Magnetic Resonance Study ◽

Cadmium Sulfate ◽

Shielding Tensors ◽

Nuclear Magnetic

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Molecular Structure and Carbon-13 Chemical Shielding Tensors Obtained from Nuclear Magnetic Resonance

Topics in Stereochemistry ◽

10.1002/9780470147283.ch1 ◽

2007 ◽

pp. 1-61 ◽

Cited By ~ 21

Author(s):

Julio C. Facelli ◽

David M. Grant

Keyword(s):

Molecular Structure ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Chemical Shielding ◽

Shielding Tensors ◽

Nuclear Magnetic

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Calculation, display, and analysis of the nature of nonsymmetric nuclear magnetic resonance shielding tensors: Application to three‐membered rings

The Journal of Chemical Physics ◽

10.1063/1.456887 ◽

1989 ◽

Vol 91 (6) ◽

pp. 3552-3560 ◽

Cited By ~ 80

Author(s):

Aage E. Hansen ◽

Thomas D. Bouman

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Shielding Tensors ◽

Nuclear Magnetic

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Assessment of the Accuracy of Theoretical Methods for Calculating27Al Nuclear Magnetic Resonance Shielding Tensors of Aquated Aluminum Species

The Journal of Physical Chemistry A ◽

10.1021/jp810632f ◽

2009 ◽

Vol 113 (17) ◽

pp. 5138-5143 ◽

Cited By ~ 15

Author(s):

Zhaosheng Qian ◽

Hui Feng ◽

Lina He ◽

Wenjing Yang ◽

Shuping Bi

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Theoretical Methods ◽

Shielding Tensors ◽

Nuclear Magnetic

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Predicting9Be Nuclear Magnetic Resonance Chemical Shielding Tensors Utilizing Density Functional Theory

Journal of the American Chemical Society ◽

10.1021/ja046712x ◽

2004 ◽

Vol 126 (44) ◽

pp. 14651-14658 ◽

Cited By ~ 58

Author(s):

Paul G. Plieger ◽

Kevin D. John ◽

Timothy S. Keizer ◽

T. Mark McCleskey ◽

Anthony K. Burrell ◽

...

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Density Functional ◽

Chemical Shielding ◽

Functional Theory ◽

Shielding Tensors ◽

Nuclear Magnetic

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