Intermediate neglect of differential overlap for spectroscopy

Wiley Interdisciplinary Reviews Computational Molecular Science ◽

10.1002/wcms.1141 ◽

2013 ◽

Vol 3 (5) ◽

pp. 515-527 ◽

Author(s):

Alexander A. Voityuk

Keyword(s):

Neglect Of Differential Overlap

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Intermediate Neglect of Differential Overlap Calculations on the Electronic Spectra of Transition Metal Complexes.

10.21236/ada306688 ◽

1995 ◽

Author(s):

Michael C. Zerner

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Electronic Spectra ◽

Neglect Of Differential Overlap

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Calculation of13C-NMR chemical shift using the intermediate neglect of differential overlap model

International Journal of Quantum Chemistry ◽

10.1002/qua.560430304 ◽

1992 ◽

Vol 43 (3) ◽

pp. 327-342 ◽

Author(s):

John David Baker ◽

Michael C. Zerner

Keyword(s):

Chemical Shift ◽

Nmr Chemical Shift ◽

Overlap Model ◽

Neglect Of Differential Overlap

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Cyclic allenes. I. Electronic structure and probable deformation of the allene linkage when included in a ring. INDO-MO [intermediate neglect of differential overlap-molecular orbitial] study

Journal of the American Chemical Society ◽

10.1021/ja00810a023 ◽

1974 ◽

Vol 96 (3) ◽

pp. 779-787 ◽

Author(s):

Paul W. Dillon ◽

Graham R. Underwood

Keyword(s):

Electronic Structure ◽

Neglect Of Differential Overlap

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CNDO [complete neglect of differential overlap]/2 study of NH...O hydrogen bonds in ions, zwitterions, and neutral molecules

The Journal of Physical Chemistry ◽

10.1021/j100603a006 ◽

1974 ◽

Vol 78 (10) ◽

pp. 970-980 ◽

Author(s):

R. D. Singh ◽

D. R. Ferro

Keyword(s):

Hydrogen Bonds ◽

Complete Neglect ◽

Neglect Of Differential Overlap

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ChemInform Abstract: ELECTRON SPIN RESONANCE AND INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP MOLECULAR ORBITAL STUDY OF THE Π CATIONS OF (HYDROXYMETHLY)URACIL AND (HYDROXYMETHYL)CYTOSINE. EVIDENCE FOR INTERNAL HYDROGEN BONDING

Chemischer Informationsdienst ◽

10.1002/chin.198320058 ◽

1983 ◽

Vol 14 (20) ◽

Author(s):

M. D. SEVILLA ◽

M. MCGLASHEN

Keyword(s):

Hydrogen Bonding ◽

Electron Spin Resonance ◽

Molecular Orbital ◽

Electron Spin ◽

Molecular Orbital Study ◽

Internal Hydrogen ◽

Orbital Study ◽

Spin Resonance ◽

Hydroxymethyl Cytosine ◽

Neglect Of Differential Overlap

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Optical activity of alkyl-substituted cyclopentanones. Intermediate neglect of differential overlap molecular orbital model

The Journal of Physical Chemistry ◽

10.1021/j100685a010 ◽

1971 ◽

Vol 75 (16) ◽

pp. 2466-2479 ◽

Author(s):

F. S. Richardson ◽

D. D. Shillady ◽

J. E. Bloor

Keyword(s):

Molecular Orbital ◽

Optical Activity ◽

Neglect Of Differential Overlap ◽

Molecular Orbital Model

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Spin delocalization in .sigma. systems. Analysis of INDO [intermediate neglect of differential overlap] calculations

Inorganic Chemistry ◽

10.1021/ic50123a053 ◽

1973 ◽

Vol 12 (5) ◽

pp. 1211-1212 ◽

Author(s):

William De W. Horrocks

Keyword(s):

Systems Analysis ◽

Spin Delocalization ◽

Neglect Of Differential Overlap

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INDO [intermediate neglect of differential overlap] theoretical studies. Geometry of 1-substituted vinyl radicals and 1-fluorovinyl cations

The Journal of Physical Chemistry ◽

10.1021/j100623a015 ◽

1973 ◽

Vol 77 (4) ◽

pp. 494-501 ◽

Author(s):

Charles U. Pittman ◽

Lowell D. Kispert ◽

Thurman B. Patterson

Keyword(s):

Theoretical Studies ◽

Vinyl Radicals ◽

Neglect Of Differential Overlap

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INDO [intermediate neglect of differential overlap] perturbation theory of magnetic shielding constants. Cabon-13 chemical shifts

Journal of the American Chemical Society ◽

10.1021/ja00767a002 ◽

1972 ◽

Vol 94 (12) ◽

pp. 4069-4076 ◽

Author(s):

Paul D. Ellis ◽

Gary E. Maciel ◽

James W. McIver

Keyword(s):

Perturbation Theory ◽

Chemical Shifts ◽

Magnetic Shielding ◽

Shielding Constants ◽

Neglect Of Differential Overlap

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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 ◽

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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