Politzer, Peter A.: search on Z-Library

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51

Hydrogen Bonding between Metal-Ion Complexes and Noncoordinated Water: Electrostatic Potentials and Interaction Energies

Andrić, Jelena M., Misini-Ignjatović, Majda Z., Murray, Jane S., Politzer, Peter, Zarić, Snežana D.

Journal:

Year:

2016

Language:

english

File:

PDF, 1024 KB

english, 2016

52

The use of the electrostatic potential at the molecular surface in recognition interactions: Dibenzo-p-dioxinsand related systems

Per Sjoberg, Jane S. Murray, Tore Brinck, Patricia Evans, Peter Politzer

Journal:

Journal of Molecular Graphics

Year:

1990

Language:

english

File:

PDF, 547 KB

english, 1990

53

A computational analysis of the bonding in boron trifluoride and boron trichloride and their complexes with ammonia

Brinck, Tore, Murray, Jane S., Politzer, Peter

Journal:

Inorganic Chemistry

Year:

1993

Language:

english

File:

PDF, 417 KB

english, 1993

54

Molecular dynamics characterization of void defects in crystalline (1,3,5-trinitro-1,3,5-triazacyclohexane)

Boyd, Sylke, Murray, Jane S., Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 2.23 MB

english, 2009

55

σ-hole bonding: molecules containing group VI atoms

Jane S. Murray, Pat Lane, Timothy Clark, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 169 KB

english, 2007

56

Molecular Electrostatic Potentials

Peter Politzer, Jane S. Murray

Journal:

Year:

2004

File:

PDF, 47 KB

2004

57

Orbital sizes and dipole moments in diatomic hydrides

Journal:

Chemical Physics Letters

Year:

1967

Language:

english

File:

PDF, 160 KB

english, 1967

58

Color illustration

Per Sjoberg, Jane S. Murray, Tore Brinck, Patricia Evans, Peter Politzer

Journal:

Journal of Molecular Graphics

Year:

1990

Language:

english

File:

PDF, 1.28 MB

english, 1990

59

Molecular surface electrostatic potentials in relation to noncovalent interactions in biological systems

Peter Politzer, Jane S. Murray, Zenaida Peralta-Inga

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 465 KB

english, 2001

60

σ-Hole bonding and hydrogen bonding: Competitive interactions

Peter Politzer, Jane S. Murray, Pat Lane

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 128 KB

english, 2007

61

A comparative analysis of the electrostatic potentials of some structural analogues of 2,3,7,8-tetrachlorodibenzo-p-dioxin and of related aromatic systems

Jane S. Murray, Patricia Evans, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 871 KB

english, 1990

62

Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors

Peter Politzer, Jane S. Murray, Monica C. Concha

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 311 KB

english, 2007

63

Relationships between solute molecular properties and solubility in supercritical carbon dioxide

Politzer, Peter, Murray, Jane S., Lane, Pat, Brinck, Tore

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 315 KB

english, 1993

64

Directional Weak Intermolecular Interactions: σ-Hole Bonding

Murray, Jane S., Riley, Kevin E., Politzer, Peter, Clark, Timothy

Journal:

Australian Journal of Chemistry

Year:

2010

Language:

english

File:

PDF, 727 KB

english, 2010

65

Electronic density distribution in nitric oxide

Politzer, Peter., Harris, Roger R.

Journal:

Journal of the American Chemical Society

Year:

1970

Language:

english

File:

PDF, 360 KB

english, 1970

66

Computational Determination of the Energetics of Boron Ignition/Combustion Reactions

Politzer, Peter, Lane, Pat, Concha, Monica C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 71 KB

english, 1999

67

Calculation of electrostatic and polarization energies from electron densities

Ma, Yuguang, Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 230 KB

english, 2004

68

Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels–Alder reactions

Yepes, Diana, Murray, Jane S., Pérez, Patricia, Domingo, Luis R., Politzer, Peter, Jaque, Pablo

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.99 MB

english, 2014

69

Magnesium as an Effective Adjunct Therapy for Drug Resistant Seizures

Abdelmalik, Peter A., Politzer, Nina, Carlen, Peter L.

Journal:

Canadian Journal of Neurological Sciences / Journal Canadien des Sciences Neurologiques

Year:

2012

File:

PDF, 96 KB

2012

70

[Theoretical and Computational Chemistry] Energetic Materials - Part 2. Detonation, Combustion Volume 13 || Preface

Politzer, Peter

Year:

2003

Language:

english

File:

PDF, 44 KB

english, 2003

71

A general model for the solubilities of gases in liquids

Murray, Jane S., Seybold, Paul G., Battino, Rubin, Politzer, Peter

Journal:

Journal of Molecular Modeling

Year:

2020

File:

PDF, 767 KB

2020

72

Electrostatic potentials of strained systems: nitrocyclopropane

Peter Politzer, Linda N. Domelsmith, Per Sjöberg, Jack Alster

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 409 KB

english, 1982

73

Computational analysis of some properties associated with the nitro groups in polynitroaromatic molecules

Frank J. Owens, Keerthi Jayasuriya, Lars Abrahmsen, Peter Politzer

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 422 KB

english, 1985

74

Surface electrostatic potentials of halogenated methanes as indicators of directional intermolecular interactions

Tore Brinck, Jane S. Murray, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 427 KB

english, 1992

75

Electrostatic potentials of some dibenzo-p-dioxins in relation to their biological activities

Jane S. Murray, Peter Politzer

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1987

Language:

english

File:

PDF, 524 KB

english, 1987

76

Some proposed criteria for simulants in supercritical systems

Peter Politzer, Jane S. Murray, Monica C. Concha, Tore Brinck

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 486 KB

english, 1993

77

Theoretical alternatives to linear solvation energy relationships

Jane S. Murray, Peter Politzer, George R. Famini

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 96 KB

english, 1998

78

Hydrogenation and Fluorination of Graphene Models: Analysis via the Average Local Ionization Energy

Bulat, Felipe A., Burgess, James S., Matis, Bernard R., Baldwin, Jeffrey W., Macaveiu, Laura, Murray, Jane S., Politzer, Peter

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 458 KB

english, 2012

79

Separation of core and valence regions in atoms

Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

1976

Language:

english

File:

PDF, 539 KB

english, 1976

80

Energy differences from electrostatic potentials at nuclei

Politzer, Peter, Levy, Mel

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 369 KB

english, 1987

81

An electrostatic correction for improved crystal density predictions of energetic ionic compounds

Politzer, Peter, Martinez, Jorge, Murray, Jane S., Concha, Monica C.

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 227 KB

english, 2010

82

Electronic Density Distribution in Lithium Hydride

Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

1966

Language:

english

File:

PDF, 507 KB

english, 1966

83

ChemInform Abstract: EIGENSCHAFTEN VON ATOMEN IN MOLEKUELEN 4. MITT. ATOMLADUNGEN IN EINIGEN LINEAREN MEHRATOMIGEN MOLEKUELEN

POLITZER, PETER, REGGIO, PATRICIA H.

Journal:

Chemischer Informationsdienst

Year:

1973

File:

PDF, 93 KB

1973

84

The Hellmann-Feynman theorem: a perspective

Politzer, Peter, Murray, Jane S.

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.10 MB

english, 2018

85

ChemInform Abstract: The Synthesis and Binding Properties of Nano-Scale Hydrophobic Pockets.

Corinne L. D. Gibb, Huaping Xi, Peter A. Politzer, Monica Concha, Bruce C. Gibb

Journal:

Year:

2002

File:

PDF, 24 KB

2002

86

Computational determination of effects of electric fields upon “trigger linkages” of prototypical energetic molecules

Peter Politzer, Jane S. Murray, Pat Lane

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 125 KB

english, 2009

87

Computed molecular surface electrostatic potentials of two groups of reverse transcriptase inhibitors: Relationships to anti-HIV-1 activities

Oscar Galvez Gonzalez, Jane S. Murray, Zenaida Peralta-Inga, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 157 KB

english, 2001

88

A comparative analysis of Hartree-Fock and Kohn-Sham orbital energies

Peter Politzer, Fakher Abu-Awwad

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1998

Language:

english

File:

PDF, 241 KB

english, 1998

89

The unique role of the nitro group in intramolecular interactions: chloronitromethanes

Laura Macaveiu, Michael Göbel, Thomas M. Klapötke, Jane S. Murray, Peter Politzer

Journal:

Structural Chemistry

Year:

2010

Language:

english

File:

PDF, 312 KB

english, 2010

90

Computational analysis of the dinitramine and chlorine derivatives of benzene and s-tetrazine

Peter Politzer, Jane S. Murray, Jorge M. Seminario, Richard S. Miller

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 3.10 MB

english, 1992

91

A computational analysis of some possible hydrogen transfer and intramolecular ring formation reactions of o-nitrotoluene and o-nitroaniline

Jane S. Murray, Pat Lane, Peter Politzer, Paul R. Bolduc, Robert L. McKenney Jr.

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 634 KB

english, 1990

92

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

Bulat, Felipe A., Levy, Mel, Politzer, Peter

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 624 KB

english, 2009

93

Characterization of Surface Electrostatic Potentials of some (5,5) and ( n ,1) Carbon and Boron/Nitrogen Model Nanotubes

Peralta-Inga, Zenaida, Lane, Pat, Murray, Jane S., Boyd, Sylke, Grice, M. Edward, O'Connor, Charles J., Politzer, Peter

Journal:

Year:

2003

Language:

english

File:

PDF, 707 KB

english, 2003

94

Prediction of Aqueous Solvation Free Energies from Properties of Solute Molecular Surface Electrostatic Potentials

Murray, Jane S., Abu-Awwad, Fakhr, Politzer, Peter

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 37 KB

english, 1999

95

Spectroscopic substituent constants for ligands

Marzilli, Luigi G., Politzer, Peter., Trogler, William C., Stewart, Robert Charles.

Journal:

Inorganic Chemistry

Year:

1975

Language:

english

File:

PDF, 647 KB

english, 1975

96

The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes

Yepes, Diana, Donoso-Tauda, Oscar, Pérez, Patricia, Murray, Jane S., Politzer, Peter, Jaque, Pablo

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

97

A relationship between the charge capacity and the hardness of neutral atoms and groups

Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 299 KB

english, 1987

98

Analysis of the stabilization of the drift-cone mode by the injection of rf power

Hershcovitch, Ady, Politzer, Peter A.

Journal:

Physics of Fluids

Year:

1979

Language:

english

File:

PDF, 492 KB

english, 1979

99

A framework for using self-organising maps to analyse spatio-temporal patterns, exemplified by analysis of mobile phone usage

Andrienko, Gennady, Andrienko, Natalia, Bak, Peter, Bremm, Sebastian, Keim, Daniel, von Landesberger, Tatiana, Pölitz, Christian, Schreck, Tobias

Journal:

Journal of Location Based Services

Year:

2010

Language:

english

File:

PDF, 3.36 MB

english, 2010

100

[Theoretical and Computational Chemistry] Molecular and Nano Electronics:Analysis, Design and Simulation Volume 17 || Chapter 3 Charge delocalization in (n, 0) model carbon nanotubes

Politzer, Peter

Year:

2007

Language:

english

File:

PDF, 1.52 MB

english, 2007

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