Investigation of the structure of the hydrated electron based on unpaired electron densities calculated by the INDO [intermediated neglect of differential overlap] method

Carolyn M. L. Kerr; Ffrancon Williams

doi:10.1021/j100669a027

Investigation of the structure of the hydrated electron based on unpaired electron densities calculated by the INDO [intermediated neglect of differential overlap] method

The Journal of Physical Chemistry ◽

10.1021/j100669a027 ◽

1972 ◽

Vol 76 (25) ◽

pp. 3838-3842 ◽

Cited By ~ 4

Author(s):

Carolyn M. L. Kerr ◽

Ffrancon Williams

Keyword(s):

Unpaired Electron ◽

Hydrated Electron ◽

Electron Densities ◽

Overlap Method ◽

Neglect Of Differential Overlap

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INVESTIGATION OF THE STRUCTURE OF THE HYDRATED ELECTRON BASED ON UNPAIRED ELECTRON DENSITIES CALCULATED BY THE INDO METHOD.

10.2172/4624714 ◽

1972 ◽

Author(s):

C. M.L. Kerr ◽

F. Williams

Keyword(s):

Unpaired Electron ◽

Hydrated Electron ◽

Indo Method ◽

Electron Densities

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Theoretical study of hyperfine coupling constants of some .sigma. radicals based on the INDO [intermediate neglect of differential overlap] method

The Journal of Physical Chemistry ◽

10.1021/j100648a018 ◽

1972 ◽

Vol 76 (4) ◽

pp. 553-564 ◽

Cited By ~ 20

Author(s):

M. F. Chiu ◽

B. C. Gilbert ◽

B. T. Sutcliffe

Keyword(s):

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Overlap Method ◽

Neglect Of Differential Overlap

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CNDO/2 (complete neglect of differential overlap)-method for third-row molecules

Theoretica Chimica Acta ◽

10.1007/bf00526511 ◽

1973 ◽

Vol 31 (3) ◽

pp. 215-220 ◽

Cited By ~ 69

Author(s):

H. L. Hase ◽

A. Schweig

Keyword(s):

Complete Neglect ◽

Overlap Method ◽

Neglect Of Differential Overlap

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Use of the CNDO [couple neglect of differential overlap] method in spectroscopy. XI. Photoelectron spectra

Journal of the American Chemical Society ◽

10.1021/ja00815a056 ◽

1974 ◽

Vol 96 (8) ◽

pp. 2623-2625 ◽

Cited By ~ 22

Author(s):

R. L. Ellis ◽

H. H. Jaffe ◽

C. A. Masmanidis

Keyword(s):

Photoelectron Spectra ◽

Overlap Method ◽

Neglect Of Differential Overlap

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A modified parametrization scheme for the complete neglect of differential overlap method with relativistic correction of orbital exponents and energy levels with particular applications to rare earth compounds

The Journal of Chemical Physics ◽

10.1063/1.462813 ◽

1992 ◽

Vol 96 (6) ◽

pp. 4518-4525

Author(s):

G. S. Wu ◽

H. Ma ◽

S. H. Lin

Keyword(s):

Rare Earth ◽

Energy Levels ◽

Relativistic Correction ◽

Rare Earth Compounds ◽

Parametrization Scheme ◽

Complete Neglect ◽

Overlap Method ◽

Neglect Of Differential Overlap ◽

Orbital Exponents

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Topology of the Effectively Paired and Unpaired Electron Densities for Complex Bonding Patterns: The Three-Center Two-Electron Bonding Case

Journal of Chemical Theory and Computation ◽

10.1021/ct900281q ◽

2009 ◽

Vol 5 (8) ◽

pp. 2030-2043 ◽

Cited By ~ 9

Author(s):

Rosana M. Lobayan ◽

Roberto C. Bochicchio ◽

Alicia Torre ◽

Luis Lain

Keyword(s):

Unpaired Electron ◽

Electron Densities ◽

Bonding Patterns

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Modified CNDO [complete neglect of differential overlap] method. IV. Ion-molecule interactions in the acetone solutions of electrolytes

The Journal of Physical Chemistry ◽

10.1021/j100692a017 ◽

1971 ◽

Vol 75 (23) ◽

pp. 3581-3585 ◽

Cited By ~ 3

Author(s):

Joanna Sadlej ◽

Zbigniew Kecki

Keyword(s):

Solutions Of Electrolytes ◽

Complete Neglect ◽

Molecule Interactions ◽

Overlap Method ◽

Neglect Of Differential Overlap

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Application of the Pople-Snatry-Segal complete neglect of differential overlap method to some hydrocarbons and their cations

Journal of the American Chemical Society ◽

10.1021/ja01003a012 ◽

1968 ◽

Vol 90 (1) ◽

pp. 59-63 ◽

Cited By ~ 64

Author(s):

Kenneth B. Wiberg

Keyword(s):

Complete Neglect ◽

Overlap Method ◽

Neglect Of Differential Overlap

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Fourier projections of unpaired electron densities

Acta Crystallographica ◽

10.1107/s0365110x6300044x ◽

1963 ◽

Vol 16 (3) ◽

pp. 174-177 ◽

Cited By ~ 3

Author(s):

S. J. Pickart

Keyword(s):

Unpaired Electron ◽

Electron Densities

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New basis set for molecular calculations. I. A study of AHnmolecules using the complete neglect of differential overlap method of Boyd and Whitehead

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/8/18/017 ◽

1975 ◽

Vol 8 (18) ◽

pp. 2987-2994 ◽

Cited By ~ 2

Author(s):

S R Accioly Canuto ◽

J D M Vyanna

Keyword(s):

Basis Set ◽

Complete Neglect ◽

Overlap Method ◽

Molecular Calculations ◽

Neglect Of Differential Overlap

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