ChemInform Abstract: Average Local Ionization Energies: Significance and Applications

J. S. MURRAY; P. POLITZER

doi:10.1002/chin.199841310

ChemInform Abstract: Average Local Ionization Energies: Significance and Applications

ChemInform ◽

10.1002/chin.199841310 ◽

2010 ◽

Vol 29 (41) ◽

pp. no-no

Author(s):

J. S. MURRAY ◽

P. POLITZER

Keyword(s):

Ionization Energies ◽

Average Local Ionization Energies

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Average local ionization energies: Significance and applications

Theoretical and Computational Chemistry - Theoretical Organic Chemistry ◽

10.1016/s1380-7323(98)80009-5 ◽

1998 ◽

pp. 189-202 ◽

Cited By ~ 5

Author(s):

Jane S. Murray ◽

Peter Politzer

Keyword(s):

Ionization Energies ◽

Average Local Ionization Energies

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Comparison of density functional and Hartree-Fock average local ionization energies on molecular surfaces

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)69:4<607::aid-qua18>3.0.co;2-w ◽

1998 ◽

Vol 69 (4) ◽

pp. 607-613 ◽

Cited By ~ 118

Author(s):

Peter Politzer ◽

Fakher Abu-Awwad ◽

Jane S. Murray

Keyword(s):

Density Functional ◽

Ionization Energies ◽

Molecular Surfaces ◽

Hartree Fock ◽

Average Local Ionization Energies

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Radial behavior of the average local ionization energies of atoms

The Journal of Chemical Physics ◽

10.1063/1.461539 ◽

1991 ◽

Vol 95 (9) ◽

pp. 6699-6704 ◽

Cited By ~ 70

Author(s):

Peter Politzer ◽

Jane S. Murray ◽

M. Edward Grice ◽

Tore Brinck ◽

Shoba Ranganathan

Keyword(s):

Ionization Energies ◽

Average Local Ionization Energies

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Computational Prediction of Antibody Binding Sites on Tetracycline Antibiotics: Electrostatic Potentials and Average Local Ionization Energies on Molecular Surfaces

The Journal of Physical Chemistry A ◽

10.1021/jp8089165 ◽

2009 ◽

Vol 113 (4) ◽

pp. 756-766 ◽

Cited By ~ 16

Author(s):

Pankaj Kulshrestha ◽

N. Sukumar ◽

Jane S. Murray ◽

Rossman F. Giese ◽

Troy D. Wood

Keyword(s):

Binding Sites ◽

Computational Prediction ◽

Antibody Binding ◽

Electrostatic Potentials ◽

Tetracycline Antibiotics ◽

Ionization Energies ◽

Molecular Surfaces ◽

Average Local Ionization Energies

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Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

Journal of Molecular Modeling ◽

10.1007/s00894-010-0692-x ◽

2010 ◽

Vol 16 (11) ◽

pp. 1679-1691 ◽

Cited By ~ 762

Author(s):

Felipe A. Bulat ◽

Alejandro Toro-Labbé ◽

Tore Brinck ◽

Jane S. Murray ◽

Peter Politzer

Keyword(s):

Quantitative Analysis ◽

Electrostatic Potentials ◽

Ionization Energies ◽

Molecular Surfaces ◽

Average Local Ionization Energies

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Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories

The Journal of Physical Chemistry A ◽

10.1021/jp809406p ◽

2009 ◽

Vol 113 (7) ◽

pp. 1384-1389 ◽

Cited By ~ 25

Author(s):

Felipe A. Bulat ◽

Mel Levy ◽

Peter Politzer

Keyword(s):

Ionization Energies ◽

Hartree Fock ◽

Average Local Ionization Energies

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Characterization of aromatic hydrocarbons by means of average local ionization energies on their molecular surfaces

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00435-2 ◽

2000 ◽

Vol 501-502 ◽

pp. 241-250 ◽

Cited By ~ 31

Author(s):

J.S Murray ◽

F Abu-Awwad ◽

P Politzer

Keyword(s):

Aromatic Hydrocarbons ◽

Ionization Energies ◽

Molecular Surfaces ◽

Average Local Ionization Energies

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The complementary roles of molecular surface electrostatic potentials and average local ionization energies with respect to electrophilic processes

International Journal of Quantum Chemistry ◽

10.1002/qua.10109 ◽

2002 ◽

Vol 88 (1) ◽

pp. 19-27 ◽

Cited By ~ 108

Author(s):

Peter Politzer ◽

Jane S. Murray ◽

Monica C. Concha

Keyword(s):

Electrostatic Potentials ◽

Molecular Surface ◽

Ionization Energies ◽

Surface Electrostatic Potentials ◽

Average Local Ionization Energies

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Average local ionization energies computed on the surfaces of some strained molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.560382462 ◽

1990 ◽

Vol 38 (S24) ◽

pp. 645-653 ◽

Cited By ~ 103

Author(s):

Jane S. Murray ◽

Jorge M. Seminario ◽

Peter Politzer ◽

Per Sjoberg

Keyword(s):

Ionization Energies ◽

Strained Molecules ◽

Average Local Ionization Energies

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Computed electrostatic potentials and average local ionization energies on the molecular surfaces of some tetracyclines

International Journal of Quantum Chemistry ◽

10.1002/qua.1031 ◽

2001 ◽

Vol 82 (4) ◽

pp. 160-169 ◽

Cited By ~ 37

Author(s):

Wedad Hussein ◽

Christopher G. Walker ◽

Zenaida Peralta-Inga ◽

Jane S. Murray

Keyword(s):

Electrostatic Potentials ◽

Ionization Energies ◽

Molecular Surfaces ◽

Average Local Ionization Energies

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