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Results: 26-50/63
Authors:
SEMINARIO JM
POLITZER P
SOSCUN HJ
ZACARIAS AG
CASTRO M
Citation: Jm. Seminario et al., REACTION ENERGETICS OF TETRAHEDRANE AND OTHER HYDROCARBONS - AB-INITIO AND DENSITY-FUNCTIONAL TREATMENTS, International journal of quantum chemistry, 60(7), 1996, pp. 139-148
Authors:
POLITZER P
LANE P
SJOBERG P
GRICE ME
SHECHTER H
Citation: P. Politzer et al., CALCULATED STRUCTURES AND HEATS OF FORMATION OF SOME PREDICTED C, N, O, F MOLECULES, Structural chemistry, 6(4-5), 1995, pp. 217-223
Authors:
POLITZER P
GRICE ME
Citation: P. Politzer et Me. Grice, INVESTIGATION OF ANOMALOUS PREDICTED BOND LENGTHS IN SOME 1,1-DIFLUOROHYDRAZINES, Journal of chemical research. Synopses, (7), 1995, pp. 296-297
Authors:
PARKANYI C
POLITZER P
COFFEY RJ
FUQUA SAW
TORTI FM
Citation: C. Parkanyi et al., 17TH ANNUAL INTERDISCIPLINARY CANCER-RESEARCH WORKSHOP, Cancer biochemistry biophysics, 15(1), 1995, pp. 49-54
Authors:
HABIBOLLAHZADEH D
GRICE ME
CONCHA MC
MURRAY JS
POLITZER P
Citation: D. Habibollahzadeh et al., NONLOCAL DENSITY-FUNCTIONAL CALCULATION OF GAS-PHASE HEATS OF FORMATION, Journal of computational chemistry, 16(5), 1995, pp. 654-658
Authors:
GRICE ME
POLITZER P
Citation: Me. Grice et P. Politzer, HEATS OF FORMATION, STRUCTURES AND RELATIVE STABILITIES OF SOME TETRAAZAPENTALENE-RELATED MOLECULES, Journal of molecular structure. Theochem, 358, 1995, pp. 63-69
Authors:
MURRAY JS
LANE P
POLITZER P
Citation: Js. Murray et al., SPECIAL RELATIONSHIPS OF FLUORINATED METHANE ETHANE BOILING POINTS AND HEATS OF VAPORIZATION TO MOLECULAR-PROPERTIES/, Journal of molecular structure. Theochem, 342, 1995, pp. 15-21
Authors:
POLITZER P
LANE P
GRICE ME
CONCHA MC
REDFERN PC
Citation: P. Politzer et al., COMPARATIVE COMPUTATIONAL ANALYSIS OF SOME NITRAMINE AND DIFLUORAMINESTRUCTURES, DISSOCIATION-ENERGIES AND HEATS OF FORMATION, Journal of molecular structure. Theochem, 338, 1995, pp. 249-256
Authors:
POLITZER P
MURRAY JS
Citation: P. Politzer et Js. Murray, C-NO2 DISSOCIATION-ENERGIES AND SURFACE ELECTROSTATIC POTENTIAL MAXIMA IN RELATION TO THE IMPACT SENSITIVITIES OF SOME NITROHETEROCYCLIC MOLECULES, Molecular physics, 86(2), 1995, pp. 251-255
Authors:
MURRAY JS
LANE P
POLITZER P
Citation: Js. Murray et al., RELATIONSHIPS BETWEEN IMPACT SENSITIVITIES AND MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS OF NITROAROMATIC AND NITROHETEROCYCLIC MOLECULES, Molecular physics, 85(1), 1995, pp. 1-8
Authors:
MURRAY JS
GAGARIN SG
POLITZER P
Citation: Js. Murray et al., REPRESENTATION OF C-60 SOLUBILITIES IN TERMS OF COMPUTED MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS AND AREAS, Journal of physical chemistry, 99(32), 1995, pp. 12081-12083
Authors:
SEMINARIO JM
CONCHA MC
POLITZER P
Citation: Jm. Seminario et al., A DENSITY-FUNCTIONAL MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE OF LIQUID NITROMETHANE, The Journal of chemical physics, 102(20), 1995, pp. 8281-8282
Authors:
SEMINARIO JM
CONCHA MC
POLITZER P
Citation: Jm. Seminario et al., MOLECULAR-DYNAMICS SIMULATION OF LIQUID NITROMETHANE SHOCKED TO 143 KBAR, International journal of quantum chemistry, 1995, pp. 621-625
Authors:
GRICE ME
POLITZER P
Citation: Me. Grice et P. Politzer, USE OF MOLECULAR STOICHIOMETRY TO ESTIMATE VIBRATIONAL-ENERGY, Chemical physics letters, 244(3-4), 1995, pp. 295-298
Authors:
HAGELIN H
MURRAY JS
BRINCK T
BERTHELOT M
POLITZER P
Citation: H. Hagelin et al., FAMILY-INDEPENDENT RELATIONSHIPS BETWEEN COMPUTED MOLECULAR-SURFACE QUANTITIES AND SOLUTE HYDROGEN-BOND ACIDITY BASICITY AND SOLUTE-INDUCEDMETHANOL O-H INFRARED FREQUENCY-SHIFTS, Canadian journal of chemistry, 73(4), 1995, pp. 483-488
Authors:
PARKANYI C
POLITZER P
Citation: C. Parkanyi et P. Politzer, 16TH ANNUAL INTERDISCIPLINARY CANCER-RESEARCH WORKSHOP, Cancer biochemistry biophysics, 14(2), 1994, pp. 107-112
Authors:
GRICE ME
MURRAY JS
POLITZER P
Citation: Me. Grice et al., CALCULATED SURFACE ELECTROSTATIC POTENTIALS OF MOLECULAR-SIEVE MODELSCONTAINING SIO4, ALO4, AND PO4 UNITS, Journal of molecular graphics, 12(3), 1994, pp. 169-171
Authors:
MURRAY JS
PAULSEN K
POLITZER P
Citation: Js. Murray et al., MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS IN THE ANALYSIS OF NON-HYDROGEN-BONDING NONCOVALENT INTERACTIONS, Proceedings of the Indian Academy of Sciences. Chemical sciences, 106(2), 1994, pp. 267-275
Authors:
MURRAY JS
BRINCK T
LANE P
PAULSEN K
POLITZER P
Citation: Js. Murray et al., STATISTICALLY-BASED INTERACTION INDEXES DERIVED FROM MOLECULAR-SURFACE ELECTROSTATIC POTENTIALS - A GENERAL INTERACTION PROPERTIES FUNCTION(GIPF), Journal of molecular structure. Theochem, 113, 1994, pp. 55-64
Authors:
POLITZER P
HABIBOLLAHZADEH D
Citation: P. Politzer et D. Habibollahzadeh, BOND-BREAKING ENERGIES FOR 2,2'-DICHLORODIETHYL SULFIDE (SULFUR MUSTARD) IN MEDIA OF DIFFERENT DIELECTRIC-CONSTANTS, Journal of physical chemistry, 98(6), 1994, pp. 1576-1578
Authors:
GRICE ME
HABIBOLLAHZADEH D
POLITZER P
Citation: Me. Grice et al., CALCULATED STRUCTURE, HEAT OF FORMATION AND DECOMPOSITION ENERGETICS OF 1,3-DINITRO-1,3-DIAZACYCLOBUTANE, The Journal of chemical physics, 100(6), 1994, pp. 4706-4707
Authors:
POLITZER P
MURRAY JS
SEMINARIO JM
Citation: P. Politzer et al., ANTIAROMATICITY IN RELATION TO 1,3,5,7-CYCLOOCTATETRAENE STRUCTURES, International journal of quantum chemistry, 50(4), 1994, pp. 273-277
Authors:
MURRAY JS
SEMINARIO JM
POLITZER P
Citation: Js. Murray et al., DOES ANTIAROMATICITY IMPLY NET DESTABILIZATION, International journal of quantum chemistry, 49(5), 1994, pp. 575-579
Authors:
SEMINARIO JM
CONCHA MC
MURRAY JS
POLITZER P
Citation: Jm. Seminario et al., THEORETICAL ANALYSES OF O(2) H(2)O SYSTEMS UNDER NORMAL AND SUPERCRITICAL CONDITIONS/, Chemical physics letters, 222(1-2), 1994, pp. 25-32
Authors:
POLITZER P
SEMINARIO JM
CONCHA MC
REDFERN PC
Citation: P. Politzer et al., DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE AND SOME DECOMPOSITION REACTIONS OF THE DINITRAMIDE ANION N(NO2)(2)(-), Journal of molecular structure. Theochem, 106, 1993, pp. 235-240