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A COMPARATIVE-ANALYSIS OF HARTREE-FOCK AND KOHN-SHAM ORBITAL ENERGIES
Authors: POLITZER P ABUAWWAD F
Citation: P. Politzer et F. Abuawwad, A COMPARATIVE-ANALYSIS OF HARTREE-FOCK AND KOHN-SHAM ORBITAL ENERGIES, Theoretical chemistry accounts, 99(2), 1998, pp. 83-87
RELATIONSHIPS BETWEEN LATTICE ENERGIES AND SURFACE ELECTROSTATIC POTENTIALS AND AREAS OF ANIONS
Authors: POLITZER P MURRAY JS
Citation: P. Politzer et Js. Murray, RELATIONSHIPS BETWEEN LATTICE ENERGIES AND SURFACE ELECTROSTATIC POTENTIALS AND AREAS OF ANIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(6), 1998, pp. 1018-1020
C-H AND C-NO2 DISSOCIATION-ENERGIES IN SOME AZINES AND NITROAZINES
Authors: POLITZER P MURRAY JS CONCHA MC
Citation: P. Politzer et al., C-H AND C-NO2 DISSOCIATION-ENERGIES IN SOME AZINES AND NITROAZINES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(33), 1998, pp. 6697-6701
COMPUTATIONAL INVESTIGATION OF THE STRUCTURES AND RELATIVE STABILITIES OF AMINO NITRO DERIVATIVES OF ETHYLENE/
Authors: POLITZER P CONCHA MC GRICE ME MURRAY JS LANE P HABIBOLLAZADEH D
Citation: P. Politzer et al., COMPUTATIONAL INVESTIGATION OF THE STRUCTURES AND RELATIVE STABILITIES OF AMINO NITRO DERIVATIVES OF ETHYLENE/, Journal of molecular structure. Theochem, 452, 1998, pp. 75-83
ENERGETICS OF AMMONIUM DINITRAMIDE DECOMPOSITION STEPS
Authors: POLITZER P SEMINARIO JM CONCHA MC
Citation: P. Politzer et al., ENERGETICS OF AMMONIUM DINITRAMIDE DECOMPOSITION STEPS, Journal of molecular structure. Theochem, 427, 1998, pp. 123-129
COMPARISON OF VARIOUS DENSITY-FUNCTIONAL METHODS FOR COMPUTING BOND-DISSOCIATION ENERGIES
Authors: WIENER JJM POLITZER P
Citation: Jjm. Wiener et P. Politzer, COMPARISON OF VARIOUS DENSITY-FUNCTIONAL METHODS FOR COMPUTING BOND-DISSOCIATION ENERGIES, Journal of molecular structure. Theochem, 427, 1998, pp. 171-174
STATISTICAL-ANALYSIS OF THE MOLECULAR-SURFACE ELECTROSTATIC POTENTIAL- AN APPROACH TO DESCRIBING NONCOVALENT INTERACTIONS IN CONDENSED PHASES
Authors: MURRAY JS POLITZER P
Citation: Js. Murray et P. Politzer, STATISTICAL-ANALYSIS OF THE MOLECULAR-SURFACE ELECTROSTATIC POTENTIAL- AN APPROACH TO DESCRIBING NONCOVALENT INTERACTIONS IN CONDENSED PHASES, Journal of molecular structure. Theochem, 425(1-2), 1998, pp. 107-114
SOME APPROXIMATE KOHN-SHAM MOLECULAR-ENERGY FORMULAS
Authors: POLITZER P ABUAWWAD F
Citation: P. Politzer et F. Abuawwad, SOME APPROXIMATE KOHN-SHAM MOLECULAR-ENERGY FORMULAS, Molecular physics (Print), 95(4), 1998, pp. 681-688
EFFECTS OF STRONGLY ELECTRON-ATTRACTING COMPONENTS ON MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS - APPLICATION TO PREDICTING IMPACT SENSITIVITIES OF ENERGETIC MOLECULES
Authors: MURRAY JS LANE P POLITZER P
Citation: Js. Murray et al., EFFECTS OF STRONGLY ELECTRON-ATTRACTING COMPONENTS ON MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS - APPLICATION TO PREDICTING IMPACT SENSITIVITIES OF ENERGETIC MOLECULES, Molecular physics, 93(2), 1998, pp. 187-194
MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS OF ANTICONVULSANT DRUGS
Authors: MURRAY JS ABUAWWAD F POLITZER P WILSON LC TROUPIN AS WALL RE
Citation: Js. Murray et al., MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS OF ANTICONVULSANT DRUGS, International journal of quantum chemistry, 70(6), 1998, pp. 1137-1143
COMPARISON OF DENSITY-FUNCTIONAL AND HARTREE-FOCK AVERAGE LOCAL IONIZATION ENERGIES ON MOLECULAR-SURFACES
Authors: POLITZER P ABUAWWAD F MURRAY JS
Citation: P. Politzer et al., COMPARISON OF DENSITY-FUNCTIONAL AND HARTREE-FOCK AVERAGE LOCAL IONIZATION ENERGIES ON MOLECULAR-SURFACES, International journal of quantum chemistry, 69(4), 1998, pp. 607-613
VIBRATIONAL ANALYSIS OF 1,3,3-TRINITROAZETIDINE USING MATRIX-ISOLATION INFRARED-SPECTROSCOPY AND QUANTUM-CHEMICAL CALCULATIONS
Authors: THOMPSON CA RICE JK RUSSELL TP SEMINARIO JM POLITZER P
Citation: Ca. Thompson et al., VIBRATIONAL ANALYSIS OF 1,3,3-TRINITROAZETIDINE USING MATRIX-ISOLATION INFRARED-SPECTROSCOPY AND QUANTUM-CHEMICAL CALCULATIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(42), 1997, pp. 7742-7748
CALCULATION OF HEATS OF SUBLIMATION AND SOLID-PHASE HEATS OF FORMATION
Authors: POLITZER P MURRAY JS GRICE ME DESALVO M MILLER E
Citation: P. Politzer et al., CALCULATION OF HEATS OF SUBLIMATION AND SOLID-PHASE HEATS OF FORMATION, Molecular physics, 91(5), 1997, pp. 923-928
RELATIONSHIPS BETWEEN BOND-DISSOCIATION ENERGIES, ELECTRON-DENSITY MINIMA AND ELECTROSTATIC POTENTIAL MINIMA
Authors: WIENER JJM MURRAY JS GRICE ME POLITZER P
Citation: Jjm. Wiener et al., RELATIONSHIPS BETWEEN BOND-DISSOCIATION ENERGIES, ELECTRON-DENSITY MINIMA AND ELECTROSTATIC POTENTIAL MINIMA, Molecular physics, 90(3), 1997, pp. 425-430
DENSITY-FUNCTIONAL INVESTIGATION OF SOME DECOMPOSITION ROUTES OF METHYL NITRATE
Authors: POLITZER P SEMINARIO JM CONCHA MC ZACARIAS AG
Citation: P. Politzer et al., DENSITY-FUNCTIONAL INVESTIGATION OF SOME DECOMPOSITION ROUTES OF METHYL NITRATE, International journal of quantum chemistry, 64(2), 1997, pp. 205-210
DENSITY-FUNCTIONAL ANALYSIS OF A DECOMPOSITION OF 4-NITRO-1,2,3-TRIAZOLE THROUGH THE EVOLUTION OF N-2
Authors: POLITZER P GRICE ME SEMINARIO JM
Citation: P. Politzer et al., DENSITY-FUNCTIONAL ANALYSIS OF A DECOMPOSITION OF 4-NITRO-1,2,3-TRIAZOLE THROUGH THE EVOLUTION OF N-2, International journal of quantum chemistry, 61(3), 1997, pp. 389-392
STRUCTURES AND MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS OF HIGH-DENSITY C, N, H SYSTEMS
Authors: MURRAY JS GILARDI R GRICE ME LANE P POLITZER P
Citation: Js. Murray et al., STRUCTURES AND MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS OF HIGH-DENSITY C, N, H SYSTEMS, Structural chemistry, 7(4), 1996, pp. 273-280
18TH ANNUAL INTERDISCIPLINARY CANCER-RESEARCH WORKSHOP
Authors: PARKANYI C POLITZER P
Citation: C. Parkanyi et P. Politzer, 18TH ANNUAL INTERDISCIPLINARY CANCER-RESEARCH WORKSHOP, Cancer biochemistry biophysics, 15(3), 1996, pp. 199-206
RELATIONSHIPS OF MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS TO SOME MACROSCOPIC PROPERTIES
Authors: MURRAY JS BRINCK T POLITZER P
Citation: Js. Murray et al., RELATIONSHIPS OF MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS TO SOME MACROSCOPIC PROPERTIES, Chemical physics, 204(2-3), 1996, pp. 289-299
COMPARISON OF DENSITY-FUNCTIONAL CALCULATIONS OF C-NO2, N-NO2 AND C-NF2 DISSOCIATION-ENERGIES
Authors: POLITZER P LANE P
Citation: P. Politzer et P. Lane, COMPARISON OF DENSITY-FUNCTIONAL CALCULATIONS OF C-NO2, N-NO2 AND C-NF2 DISSOCIATION-ENERGIES, Journal of molecular structure. Theochem, 388, 1996, pp. 51-55
ENERGETICS OF HF ELIMINATION AND N-F BOND-CLEAVAGE IN SOME DIFLUORAMINES AND GEM-NITRO DIFLUORAMINES/
Authors: POLITZER P LANE P GRICE ME
Citation: P. Politzer et al., ENERGETICS OF HF ELIMINATION AND N-F BOND-CLEAVAGE IN SOME DIFLUORAMINES AND GEM-NITRO DIFLUORAMINES/, Journal of molecular structure. Theochem, 365(2-3), 1996, pp. 89-92
DENSITY-FUNCTIONAL STUDY OF AMINE SENSITIZATION OF NITROMETHANE
Authors: POLITZER P SEMINARIO JM ZACARIAS AG
Citation: P. Politzer et al., DENSITY-FUNCTIONAL STUDY OF AMINE SENSITIZATION OF NITROMETHANE, Molecular physics, 89(5), 1996, pp. 1511-1520
RELATIONSHIP BETWEEN MEASURED DIFFUSION-COEFFICIENTS AND CALCULATED MOLECULAR-SURFACE PROPERTIES
Authors: POLITZER P MURRAY JS FLODMARK P
Citation: P. Politzer et al., RELATIONSHIP BETWEEN MEASURED DIFFUSION-COEFFICIENTS AND CALCULATED MOLECULAR-SURFACE PROPERTIES, Journal of physical chemistry, 100(13), 1996, pp. 5538-5540
RELATIONSHIPS BETWEEN DISSOCIATION-ENERGIES AND ELECTROSTATIC POTENTIALS OF C-NO2 BONDS - APPLICATIONS TO IMPACT SENSITIVITIES
Authors: POLITZER P MURRAY JS
Citation: P. Politzer et Js. Murray, RELATIONSHIPS BETWEEN DISSOCIATION-ENERGIES AND ELECTROSTATIC POTENTIALS OF C-NO2 BONDS - APPLICATIONS TO IMPACT SENSITIVITIES, Journal of molecular structure, 376, 1996, pp. 419-424
MOLECULAR ELECTROSTATIC POTENTIALS AS INDICATORS OF COVALENT RADII
Authors: WIENER JJM GRICE ME MURRAY JS POLITZER P
Citation: Jjm. Wiener et al., MOLECULAR ELECTROSTATIC POTENTIALS AS INDICATORS OF COVALENT RADII, The Journal of chemical physics, 104(13), 1996, pp. 5109-5111
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