Relationships between impact sensitivities and molecular surface electrostatic potentials of nitroaromatic and nitroheterocyclic molecules

Molecular Surface ◽

Effects of strongly electron-attracting components on molecular surface electrostatic potentials: application to predicting impact sensitivities of energetic molecules

Molecular Physics ◽

10.1080/00268979809482203 ◽

1998 ◽

Vol 93 (2) ◽

pp. 187-194 ◽

Cited By ~ 108

Author(s):

JANE MURRAY ◽

PAT LANE ◽

PETER POLITZER

Keyword(s):

Molecular Surface ◽

Effects of strongly electron-attracting components on molecular surface electrostatic potentials: application to predicting impact sensitivities of energetic molecules

Molecular Physics ◽

10.1080/002689798169203 ◽

1998 ◽

Vol 93 (2) ◽

pp. 187-194 ◽

Cited By ~ 8

Author(s):

JANE S. MURRAY PAT LANE PETER POLIT

Keyword(s):

Molecular Surface ◽

Molecular surface electrostatic potentials of anticonvulsant drugs

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)70:6<1137::aid-qua3>3.0.co;2-0 ◽

1998 ◽

Vol 70 (6) ◽

pp. 1137-1143 ◽

Cited By ~ 12

Author(s):

Jane S. Murray ◽

Fakher Abu-Awwad ◽

Peter Politzer ◽

Leslie C. Wilson ◽

Allan S. Troupin ◽

...

Keyword(s):

Anticonvulsant Drugs ◽

Molecular Surface ◽

Computational prediction of condensed phase properties from statistical characterization of molecular surface electrostatic potentials

Fluid Phase Equilibria ◽

10.1016/s0378-3812(01)00463-0 ◽

2001 ◽

Vol 185 (1-2) ◽

pp. 129-137 ◽

Cited By ~ 64

Author(s):

Peter Politzer ◽

Jane S. Murray

Keyword(s):

Condensed Phase ◽

Computational Prediction ◽

Molecular Surface ◽

Statistical Characterization ◽

Phase Properties

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

Journal of Molecular Modeling ◽

10.1007/s00894-010-0836-z ◽

2010 ◽

Vol 17 (9) ◽

pp. 2151-2157 ◽

Cited By ~ 22

Author(s):

Jane S. Murray ◽

Monica C. Concha ◽

Peter Politzer

Keyword(s):

Molecular Surface ◽

A new approach of drug design based on the determination of a minimum set of common parameters in terms of molecular surface electrostatic potentials for compounds with the same therapeutic activities: case of neuroactive agents

Journal of Molecular Graphics ◽

10.1016/0263-7855(86)80058-3 ◽

1986 ◽

Vol 4 (4) ◽

pp. 228-229

Author(s):

G Pepe

Keyword(s):

Drug Design ◽

Molecular Surface ◽

New Approach ◽

Therapeutic Activities

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

International Journal of Quantum Chemistry ◽

10.1002/qua.1706 ◽

2001 ◽

Vol 85 (6) ◽

pp. 676-684 ◽

Cited By ~ 158

Author(s):

Peter Politzer ◽

Jane S. Murray ◽

Zenaida Peralta-Inga

Keyword(s):

Noncovalent Interactions ◽

Biological Systems ◽

Molecular Surface ◽

Segmental analysis of molecular surface electrostatic potentials: application to enzyme inhibition

Journal of Molecular Modeling ◽

10.1007/s00894-002-0111-z ◽

2003 ◽

Vol 9 (2) ◽

pp. 77-83 ◽

Cited By ~ 16

Author(s):

Tore Brinck ◽

Ping Jin ◽

Yuguang Ma ◽

Jane S. Murray ◽

Peter Politzer

Keyword(s):

Enzyme Inhibition ◽

Molecular Surface ◽

Segmental Analysis ◽

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

International Journal of Quantum Chemistry ◽

10.1002/qua.1203 ◽

2001 ◽

Vol 83 (3-4) ◽

pp. 115-121 ◽

Cited By ~ 13

Author(s):

Oscar Galvez Gonzalez ◽

Jane S. Murray ◽

Zenaida Peralta-Inga ◽

Peter Politzer

Keyword(s):

Reverse Transcriptase ◽

Molecular Surface ◽

Reverse Transcriptase Inhibitors ◽

Anti Hiv ◽

Hiv 1

Links between surface electrostatic potentials of energetic molecules, impact sensitivities and C–NO2/N–NO2bond dissociation energies

Molecular Physics ◽

10.1080/00268970902744375 ◽

2009 ◽

Vol 107 (1) ◽

pp. 89-97 ◽

Cited By ~ 188

Author(s):

Jane S. Murray ◽

Monica C. Concha ◽

Peter Politzer

Keyword(s):

Dissociation Energies ◽