67Zn NMR Chemical Shifts and Electric Field Gradients in Zinc Complexes: A Quantum Chemical Investigation

Journal of the American Chemical Society ◽

10.1021/ja040242p ◽

2005 ◽

Vol 127 (8) ◽

pp. 2370-2371 ◽

Author(s):

Yong Zhang ◽

Sujoy Mukherjee ◽

Eric Oldfield

Keyword(s):

Electric Field ◽

Quantum Chemical ◽

Chemical Shifts ◽

Zinc Complexes ◽

Chemical Investigation ◽

Electric Field Gradients ◽

Quantum Chemical Investigation ◽

Nmr Chemical Shifts ◽

Field Gradients

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Magnetic resonance tensors in Uracil: Calculation of 13C, 15N, 17O NMR chemical shifts, 17O and 14N electric field gradients and measurement of 13C and 15N chemical shifts

Solid State Nuclear Magnetic Resonance ◽

10.1016/j.ssnmr.2009.12.001 ◽

2010 ◽

Vol 37 (1-2) ◽

pp. 13-20 ◽

Author(s):

Saeed K. Amini ◽

Hoora Shaghaghi ◽

Alex D. Bain ◽

Ammar Chabok ◽

Mohsen Tafazzoli

Keyword(s):

Magnetic Resonance ◽

Electric Field ◽

Chemical Shifts ◽

Electric Field Gradients ◽

17O Nmr ◽

Nmr Chemical Shifts ◽

Field Gradients

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A Quantum-Chemical Investigation of the Geometry and NMR Chemical Shifts of Bilirubin

Applied Magnetic Resonance ◽

10.1007/s00723-008-0085-9 ◽

2008 ◽

Vol 33 (4) ◽

pp. 457-467 ◽

Author(s):

T. Metzroth ◽

M. Lenhart ◽

J. Gauss

Keyword(s):

Quantum Chemical ◽

Chemical Shifts ◽

Chemical Investigation ◽

Quantum Chemical Investigation ◽

Nmr Chemical Shifts

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Modelling and simulation of 13C, 15N, 17O NMR chemical shifts, 17O and 14N electric field gradients and measurement of 13C and 15N chemical shifts in DNA/RNA of human gum cancer cells, tissues and tumors using NMR biospectroscopic profiling for novel systems diagnostics

Global Imaging Insights ◽

10.15761/gii.1000213 ◽

2021 ◽

Vol 6 (1) ◽

Author(s):

Alireza Heidari ◽

Ricardo Gobato ◽

Lauro Figueroa Valverde

Keyword(s):

Electric Field ◽

Cancer Cells ◽

Chemical Shifts ◽

Modelling And Simulation ◽

Electric Field Gradients ◽

17O Nmr ◽

Nmr Chemical Shifts ◽

Field Gradients

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The prediction of nuclear quadrupole moments from ab initio quantum chemical studies on small molecules. I. The electric field gradients at the 14N and 2H nuclei in N2, NO, NO+, CN, CN−, HCN, HNC, and NH3

The Journal of Chemical Physics ◽

10.1063/1.452390 ◽

1987 ◽

Vol 86 (12) ◽

pp. 6908-6917 ◽

Author(s):

Peter L. Cummins ◽

George B. Bacskay ◽

Noel S. Hush ◽

Reinhart Ahlrichs

Keyword(s):

Electric Field ◽

Small Molecules ◽

Quantum Chemical ◽

Quadrupole Moments ◽

Electric Field Gradients ◽

Field Gradients ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Nuclear Quadrupole ◽

Nuclear Quadrupole Moments

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ChemInform Abstract: Quantum Chemical Study of Relative Stability, Electric Field Gradients at Nitrogen Atoms, Rotational Constants and Electric Dipole Moments of All Uracil, Thymine and Cytosine Isomers.

10.1002/chin.199409032 ◽

2010 ◽

Vol 25 (9) ◽

pp. no-no

Author(s):

T.-K. HA ◽

H. H. GUNTHARD

Keyword(s):

Electric Field ◽

Electric Dipole ◽

Relative Stability ◽

Quantum Chemical ◽

Dipole Moments ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electric Field Gradients ◽

Electric Dipole Moments ◽

Field Gradients

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A Solid State13C NMR, Crystallographic, and Quantum Chemical Investigation of Chemical Shifts and Hydrogen Bonding in Histidine Dipeptides

Journal of the American Chemical Society ◽

10.1021/ja051528c ◽

2005 ◽

Vol 127 (36) ◽

pp. 12544-12554 ◽

Author(s):

Feng Cheng ◽

Haihong Sun ◽

Yong Zhang ◽

Dushyant Mukkamala ◽

Eric Oldfield

Keyword(s):

Hydrogen Bonding ◽

Quantum Chemical ◽

Chemical Shifts ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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14-P-27-Quantification of electric-field gradients in the supercage of Y zeolites by comparing the chemical shifts of 131Xe (I=3/2) and 129Xe (I=1/2)

Studies in Surface Science and Catalysis - Zeolites and Mesoporous Materials at the dawn of the 21st century, Proceedings of the 13th International Zeolite Conference, ◽

10.1016/s0167-2991(01)81826-7 ◽

2001 ◽

pp. 354 ◽

Author(s):

Y. Millot ◽

P.P. Man ◽

M.-A. Springuel-Huet ◽

J. Fraissard

Keyword(s):

Electric Field ◽

Chemical Shifts ◽

Electric Field Gradients ◽

Field Gradients

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Quantum chemical study of relative stability, electric field gradients at nitrogen atoms, rotational constants and electric dipole moments of all uracil, thymine and cytosine isomers

Journal of Molecular Structure ◽

10.1016/0022-2860(93)87051-a ◽

1993 ◽

Vol 300 ◽

pp. 619-635 ◽

Author(s):

T.-K. Ha ◽

H.H. Gunthard

Keyword(s):

Electric Field ◽

Electric Dipole ◽

Relative Stability ◽

Quantum Chemical ◽

Dipole Moments ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electric Field Gradients ◽

Electric Dipole Moments ◽

Field Gradients

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Quantum-chemical investigation of the structure and electronic absorption spectra of electroluminescent zinc complexes

Optics and Spectroscopy ◽

10.1134/s0030400x13010207 ◽

2013 ◽

Vol 114 (1) ◽

pp. 30-40 ◽

Author(s):

B. F. Minaev ◽

G. V. Baryshnikov ◽

A. A. Korop ◽

V. A. Minaeva ◽

M. G. Kaplunov

Keyword(s):

Absorption Spectra ◽

Electronic Absorption ◽

Quantum Chemical ◽

Electronic Absorption Spectra ◽

Zinc Complexes ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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Quantum chemical investigation of molecule and ion behaviour in an electric field. II. Ethanal

International Journal of Mass Spectrometry and Ion Physics ◽

10.1016/0020-7381(75)87046-x ◽

1975 ◽

Vol 18 (4) ◽

pp. 275-288 ◽

Author(s):

V.V. Lobanov ◽

M.M. Aleksankin ◽

Yu.A. Kruglyak

Keyword(s):

Electric Field ◽

Quantum Chemical ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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