The topology of the charge distribution and the electric‐field gradient at the N nucleus in imines and di‐imides

Yossien Aray; Juan Murgich

doi:10.1063/1.463341

The topology of the charge distribution and the electric‐field gradient at the N nucleus in imines and di‐imides

The Journal of Chemical Physics ◽

10.1063/1.463341 ◽

1992 ◽

Vol 97 (12) ◽

pp. 9154-9160 ◽

Cited By ~ 2

Author(s):

Yossien Aray ◽

Juan Murgich

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution

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The electric field gradient at the N nuclei and the topology of the charge distribution in the protonation of urea

The Journal of Chemical Physics ◽

10.1063/1.467945 ◽

1994 ◽

Vol 101 (11) ◽

pp. 9800-9806 ◽

Cited By ~ 4

Author(s):

Yosslen Aray ◽

Carlo Gatti ◽

Juan Murgich

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution

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Spin-orbit induced noncubic charge distribution in cubic ferromagnets. I. Electric field gradient measurements on5dimpurities in Fe and Ni

Physical Review B ◽

10.1103/physrevb.66.174401 ◽

2002 ◽

Vol 66 (17) ◽

Cited By ~ 13

Author(s):

G. Seewald ◽

E. Hagn ◽

E. Zech ◽

R. Kleyna ◽

M. Voß ◽

...

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution ◽

Spin Orbit ◽

Gradient Measurements

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Charge Distribution and Electric Field Gradient Calculations for YBa2Cu3O7−x

Springer Series in Solid-State Sciences - Electronic Properties of High-Tc Superconductors and Related Compounds ◽

10.1007/978-3-642-84345-7_64 ◽

1990 ◽

pp. 338-342

Author(s):

C. Ambrosch-Draxl ◽

P. Blaha ◽

K. Schwarz

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution

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The topology of the molecular charge distribution and the electric field gradient at the N atom in nitriles

The Journal of Chemical Physics ◽

10.1063/1.457515 ◽

1989 ◽

Vol 91 (1) ◽

pp. 293-299 ◽

Cited By ~ 6

Author(s):

Yosslen Aray ◽

Juan Murgich

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution ◽

Molecular Charge

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The charge distribution and the electric field gradient at the nuclei of two-coordinated N atoms

International Journal of Quantum Chemistry ◽

10.1002/qua.560400852 ◽

1991 ◽

Vol 40 (S25) ◽

pp. 587-591 ◽

Cited By ~ 4

Author(s):

Yosslen Aray ◽

Humberto Soscun ◽

Juan Murgich

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution

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Effect of higher-order terms in the free-electron screening-charge distribution on the electric field gradient in dilute alloys of cubic host metals

Physical Review B ◽

10.1103/physrevb.27.7776 ◽

1983 ◽

Vol 27 (12) ◽

pp. 7776-7778 ◽

Cited By ~ 9

Author(s):

N. C. Mohapatra ◽

S. Hafizuddin

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution ◽

Free Electron ◽

Higher Order ◽

Electron Screening ◽

Dilute Alloys ◽

Higher Order Terms

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The Charge Distribution and the Electric Field Gradient in the High-Temperature Superconductor TlBa2Can−1CunO2n+3 (n = 1 to 3)

physica status solidi (b) ◽

10.1002/pssb.2221670122 ◽

1991 ◽

Vol 167 (1) ◽

pp. 197-203 ◽

Cited By ~ 2

Author(s):

Y. Q. Jia

Keyword(s):

High Temperature ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Charge Distribution ◽

High Temperature Superconductor

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Electronic structure and electric field gradient calculations for the Zr2Ni intermetallic compound

International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde) ◽

10.3139/146.110179 ◽

2009 ◽

Vol 100 (9) ◽

pp. 1239-1241

Author(s):

A. Umićević ◽

J. Belošević-Čavor ◽

V. Koteski ◽

B. Cekić ◽

V. Ivanovski

Keyword(s):

Electronic Structure ◽

Intermetallic Compound ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient

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Real-space method for calculation of the electric field gradient: comparison with k-space results

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/2/1/012 ◽

1990 ◽

Vol 2 (1) ◽

pp. 149-158 ◽

Cited By ~ 11

Author(s):

M Methfessel ◽

S Frota-Pessoa

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Real Space ◽

Space Method

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Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations

Journal of Materials Chemistry C ◽

10.1039/d1tc00989c ◽

2021 ◽

Author(s):

Samuel Silva dos Santos ◽

Michel L. Marcondes ◽

Ivan P. Miranda ◽

Pedro Rocha-Rodrigues ◽

Lucy Vitória Credidio Assali ◽

...

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Ab Initio ◽

Field Gradient ◽

Electric Polarization ◽

Double Perovskites

An ab-initio study for several hybrid improper ferroelectric (HIF) materials in the Ruddlesden-Popper phases and double perovskites structures is here presented. The focus is on the correlation between the electric...

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