Politzer, Peter A.: search on Z-Library

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101

Sensitivities of ionic explosives

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

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.21 MB

english, 2016

102

Density functional study of dimers of dimethylnitramine

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

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 256 KB

english, 2000

103

The role of hydrogen bonding in some diol epoxides

Peter Politzer, Kenneth C. Daiker, Vernon M. Estes

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 351 KB

english, 1979

104

Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?

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

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 386 KB

english, 2008

105

Comparative analysis of surface electrostatic potentials of carbon, boron/nitrogen and carbon/boron/nitrogen model nanotubes

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

Journal:

Journal of Molecular Modeling

Year:

2005

Language:

english

File:

PDF, 523 KB

english, 2005

106

Correlations between the solvent hydrogen bond acceptor parameter .beta. and the calculated molecular electrostatic potential

Murray, Jane S., Ranganathan, Shoba, Politzer, Peter

Journal:

Journal of Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 459 KB

english, 1991

107

Bond Lengths and Atomic Orbital Radii in the Diatomic Hydrides 1

Politzer, Peter

Journal:

Journal of Physical Chemistry

Year:

1966

Language:

english

File:

PDF, 405 KB

english, 1966

108

A proposed formula for the energy of an atom in a molecule

Politzer, Peter, Daiker, Kenneth C., Trefonas, Peter

Journal:

The Journal of Chemical Physics

Year:

1979

Language:

english

File:

PDF, 472 KB

english, 1979

109

Core regions in molecules

Politzer, Peter, Reuther, John, Kasten, Glenn T.

Journal:

The Journal of Chemical Physics

Year:

1977

Language:

english

File:

PDF, 449 KB

english, 1977

110

Calculated structure, heat of formation and decomposition energetics of 1,3-dinitro-1,3-diazacyclobutane

Grice, M. Edward, Habibollahzadeh, Dariush, Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 399 KB

english, 1994

111

ChemInform Abstract: Halogen Bonding: An Interim Discussion

Politzer, Peter, Murray, Jane S.

Journal:

Year:

2013

File:

PDF, 18 KB

2013

112

Fluorination promotes chalcogen/tetrel bonding in crystalline solids

nayak, susanta K., Kumar, Vijith, Murray, Jane, Politzer, Peter, Terraneo, Giancarlo, Pilati, Tullio, Metrangolo, Pierangelo, Resnati, Giuseppe

Journal:

Year:

2017

Language:

english

File:

PDF, 763 KB

english, 2017

113

Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction

Pablo Jaque, Alejandro Toro-Labbé, Peter Politzer, Paul Geerlings

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 353 KB

english, 2008

114

Computational prediction of relative group polarizabilities

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

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 98 KB

english, 2003

115

Surface local ionization energies and electrostatic potentials of the conjugate bases of a series of cyclic hydrocarbons in relation to their aqueous acidities

Jane S. Murray, Tore Brinck, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 363 KB

english, 1991

116

Properties of atoms in molecules

Journal:

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

Year:

1971

Language:

english

File:

PDF, 230 KB

english, 1971

117

σ-hole bonding between like atoms; a fallacy of atomic charges

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

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 248 KB

english, 2008

118

Molecular surface electrostatic potentials as guides to Si-O-N angle contraction: tunable σ-holes

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

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 305 KB

english, 2011

119

A proposed interpretation of the destabilizing effect of hydroxyl groups on nitroaromatic molecules

Peter Politzer, Jorge M. Seminario, Paul R. Bolduc

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 464 KB

english, 1989

120

Computational Determination of Nitroaromatic Solid Phase Heats of Formation

Peter Politzer, Pat Lane, Monica C. Concha

Journal:

Structural Chemistry

Year:

2004

Language:

english

File:

PDF, 183 KB

english, 2004

121

Polarizability and volume

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

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 329 KB

english, 1993

122

Energetics of ammonium dinitramide decomposition steps

Peter Politzer, Jorge M. Seminario, Monica C. Concha

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 520 KB

english, 1998

123

Effects of amino and nitro substituents upon the electrostatic potential of an aromatic ring

Politzer, Peter, Abrahmsen, Lars, Sjoberg, Per

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 635 KB

english, 1984

124

Ab initio study of rotation about the Si—

Jane S. Murray, Peter Politzer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 955 KB

english, 1988

125

Calculated structures and electrostatic potentials of some 1,4-dioxazines and 1,4-dioxadiazines

Jane S. Murray, Peter Politzer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 767 KB

english, 1988

126

Trends in molecular properties by the method of structural fragments. Bond angles in triatomic molecules, pyramidal inversion barriers, and singlet-triplet energy differences

Liebman, Joel F., Politzer, Peter, Sanders, William A.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 759 KB

english, 1976

127

Computational study of the nitrogen-nitro rotational energy barriers in some aliphatic and alicyclic nitramines

Habibollahzadeh, Dariush, Murray, Jane S., Redfern, Paul C., Politzer, Peter

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1.21 MB

english, 1991

128

Anomalous properties of halogen substituents

Politzer, Peter., Timberlake, Jack W.

Journal:

Journal of Organic Chemistry

Year:

1972

Language:

english

File:

PDF, 435 KB

english, 1972

129

Comparison of Two Atomic Charge Definitions, as Applied to the Hydrogen Fluoride Molecule

Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

1971

Language:

english

File:

PDF, 368 KB

english, 1971

130

Untersuchungen zu Biologie und Befallsdynamik des Ackerbohnenkäfers (Coleoptera, Bruchidae: Bruchus rufimanus) in Sachsen; Studies on Biology and Infestation Dynamics of the Bean Seed Beetle (Coleoptera, Bruchidae: Bruchus Rufimanus) in Saxony;

Pölitz, Birgit, Reike, Hans-Peter

Journal:

Gesunde Pflanzen

Year:

2019

File:

PDF, 886 KB

2019

131

Electrostatics and Polarization in σ‐ and π‐Hole Noncovalent Interactions: An Overview

Politzer, Peter, Murray, Jane S.

Journal:

Year:

2019

Language:

english

File:

PDF, 1.62 MB

english, 2019

132

Molecular surface electrostatic potentials of anticonvulsant drugs

Jane S. Murray, Fakher Abu-Awwad, Peter Politzer, Leslie C. Wilson, Allan S. Troupin, Ryan E. Wall

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 421 KB

english, 1998

133

Density-functional investigation of some decomposition routes of methyl nitrate

Peter Politzer, Jorge M. Seminario, Monica C. Concha, Angélica G. Zacari´as

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 142 KB

english, 1997

134

Simultaneous σ-hole and hydrogen bonding by sulfur- and selenium-containing heterocycles

Jane S. Murray, Pat Lane, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 226 KB

english, 2008

135

Directional tendencies of halogen and hydrogen bonds

Zenaida P. Shields, Jane S. Murray, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 1.32 MB

english, 2010

136

An unusual feature of end-substituted model carbon (6,0) nanotubes

Peter Politzer, Jane S. Murray, Pat Lane, Monica C. Concha, Ping Jin, Zenaida Peralta-Inga

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 77 KB

english, 2006

137

The reaction force and the transition region of a reaction

Alejandro Toro-Labbé, Soledad Gutiérrez-Oliva, Jane S. Murray, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2009

Language:

english

File:

PDF, 220 KB

english, 2009

138

Directional Noncovalent Interactions: Repulsion and Dispersion

El Kerdawy, Ahmed, Murray, Jane S., Politzer, Peter, Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas, Clark, Timothy

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 2.05 MB

english, 2013

139

Identification of pseudodiatomic behavior in polyatomic bond dissociation: Reaction force analysis

Murray, Jane S., Toro-Labbé, Alejandro, Gutiérrez-Oliva, Soledad, Politzer, Peter

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 497 KB

english, 2010

140

The reaction force constant: an indicator of the synchronicity in double proton transfer reactions

Yepes, Diana, Murray, Jane S., Politzer, Peter, Jaque, Pablo

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.84 MB

english, 2012

141

Fine structure in the transition region: reaction force analyses of water-assisted proton transfers

Yepes, Diana, Murray, Jane S., Santos, Juan C., Toro-LabbÃ©, Alejandro, Politzer, Peter, Jaque, Pablo

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 555 KB

english, 2013

142

A Study of the Bonding in the Hydrogen Molecule 1

Politzer, Peter

Journal:

Journal of Physical Chemistry

Year:

1966

Language:

english

File:

PDF, 483 KB

english, 1966

143

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

Riley, Kevin E., Murray, Jane S., Politzer, Peter, Concha, Monica C., Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 783 KB

english, 2009

144

Perspectives on the reaction force constant

Peter Politzer, Jane S. Murray, Pablo Jaque

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 623 KB

english, 2013

145

Calculation of proton affinities with the integral Hellmann–Feynman theorem

Politzer, Peter, Daiker, Kenneth C.

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 436 KB

english, 1978

146

Relationships between the electrostatic potential, epoxide hydrase inhibition and carcinogenicity for some hydrocarbon and halogenated hydrocarbon epoxides

Politzer, Peter, Laurence, Patricia R.

Journal:

Year:

1984

Language:

english

File:

PDF, 346 KB

english, 1984

147

In search of the ‘impenetrable’ volume of a molecule in a noncovalent complex

Murray, Jane S., Politzer, Peter

Journal:

Molecular Physics

Year:

2017

Language:

english

File:

PDF, 925 KB

english, 2017

148

[Theoretical and Computational Chemistry] Recent Developments and Applications of Modern Density Functional Theory Volume 4 || Density Functional Calculations of Heats of Reaction

Politzer, Peter

Year:

1996

Language:

english

File:

PDF, 403 KB

english, 1996

149

Conformational dependence of molecular surface electrostatic potentials

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

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 179 KB

english, 1999

150

Computed molecular surface electrostatic potentials of the nonionic and zwitterionic forms of glycine, histidine, and tetracycline

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

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 12.04 MB

english, 2000

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