EXACT NUCLEAR MAGNETIC RESONANCE SHIELDING CONSTANTS FOR HYDRIDE, HELIUM, LITHIUM(I), OXYGEN(VI)1

R. E. Glick

doi:10.1021/j100827a045

EXACT NUCLEAR MAGNETIC RESONANCE SHIELDING CONSTANTS FOR HYDRIDE, HELIUM, LITHIUM(I), OXYGEN(VI)1

The Journal of Physical Chemistry ◽

10.1021/j100827a045 ◽

1961 ◽

Vol 65 (10) ◽

pp. 1871-1872 ◽

Cited By ~ 10

Author(s):

R. E. Glick

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Shielding Constants ◽

Nuclear Magnetic

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Accurate prediction of nuclear magnetic resonance shielding constants: An extension of the focal-point analysis method for magnetic parameter calculations (FPA-M) with improved efficiency

The Journal of Chemical Physics ◽

10.1063/1.5041979 ◽

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Author(s):

Kangli Wang ◽

Meng Sun ◽

Deng Cui ◽

Tonghao Shen ◽

Anan Wu ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Parameter ◽

Focal Point ◽

Accurate Prediction ◽

Analysis Method ◽

Point Analysis ◽

Shielding Constants ◽

Nuclear Magnetic

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A simple scheme for magnetic balance in four-component relativistic Kohn–Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis

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10.1063/1.3671390 ◽

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pp. 014108 ◽

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Author(s):

Małgorzata Olejniczak ◽

Radovan Bast ◽

Trond Saue ◽

Magdalena Pecul

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Simple Scheme ◽

Shielding Constants ◽

Magnetic Balance ◽

Nuclear Magnetic

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The Journal of Chemical Physics ◽

10.1063/1.4796485 ◽

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pp. 124113 ◽

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Author(s):

Meng Sun ◽

Igor Ying Zhang ◽

Anan Wu ◽

Xin Xu

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Accurate Prediction ◽

Basis Set ◽

Complete Basis ◽

Shielding Constants ◽

Complete Basis Set ◽

Complete Basis Set Limit ◽

Nuclear Magnetic

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Ab initio calculations of the geometries and the nuclear magnetic resonance shielding constants of the silane derivatives (CH3)4−nSiCln and (SiH3)4−nSiHn (n = 0−4)

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Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Ab Initio Calculations ◽

Ab Initio ◽

Shielding Constants ◽

Nuclear Magnetic

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Electroweak quantum chemistry for nuclear-magnetic-resonance-shielding constants: Impact of electron correlation

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10.1103/physreva.74.032105 ◽

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Cited By ~ 25

Author(s):

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Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Quantum Chemistry ◽

Electron Correlation ◽

Shielding Constants ◽

Nuclear Magnetic

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Nuclear magnetic resonance shielding constants in XH4group XIV hydrides

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Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Shielding Constants ◽

Nuclear Magnetic

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On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding

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Kestutis Aidas ◽

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Stephan P. A. Sauer

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Hydrogen Bonding ◽

Magnetic Resonance ◽

Density Functional ◽

Functional Theory ◽

Shielding Constants ◽

Nuclear Magnetic

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Solvent effects on zero-point vibrational corrections to optical rotations and nuclear magnetic resonance shielding constants

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Author(s):

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Kenneth Ruud

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Solvent Effects ◽

Zero Point ◽

Shielding Constants ◽

Optical Rotations ◽

Nuclear Magnetic

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Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods

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Author(s):

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Juan I. Melo ◽

Lars Hemmingsen ◽

Stephan P. A. Sauer

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Computational Methods ◽

Chemical Shifts ◽

Shielding Constants ◽

Nuclear Magnetic

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Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional models

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Ying Zhang ◽

Xin Xu ◽

Yijing Yan

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Density Functional ◽

Chemical Shifts ◽

Functional Models ◽

Shielding Constants ◽

Nuclear Magnetic

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