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Results: 1-25 | 26-27
Results: 1-25/27
COMMENT ON ASSESSMENT OF COMPLETE BASIS-SET METHODS FOR CALCULATION OF ENTHALPIES OF FORMATION [J. CHEM. PHYS. 188, 692 (1998)]
Authors: MONTGOMERY JA FRISCH AMJ OCHTERSKI JW PETERSSON GA RAGHAVACHARI K ZAKRZEWSKI VG
Citation: Ja. Montgomery et al., COMMENT ON ASSESSMENT OF COMPLETE BASIS-SET METHODS FOR CALCULATION OF ENTHALPIES OF FORMATION [J. CHEM. PHYS. 188, 692 (1998)], The Journal of chemical physics, 109(15), 1998, pp. 6505-6506
STRUCTURE, BONDING, AND ENERGETICS OF C-7(2-) ISOMERS
Authors: DOLGOUNITCHEVA O ZAKRZEWSKI VG ORTIZ JV
Citation: O. Dolgounitcheva et al., STRUCTURE, BONDING, AND ENERGETICS OF C-7(2-) ISOMERS, The Journal of chemical physics, 109(1), 1998, pp. 87-93
ELECTRON PROPAGATOR THEORY OF CONFORMATIONAL EFFECTS ON ANISOLE AND THIOANISOLE PHOTOELECTRON-SPECTRA
Authors: DOLGOUNITCHEVA O ZAKRZEWSKI VG ORTIZ JV RATOVSKI GV
Citation: O. Dolgounitcheva et al., ELECTRON PROPAGATOR THEORY OF CONFORMATIONAL EFFECTS ON ANISOLE AND THIOANISOLE PHOTOELECTRON-SPECTRA, International journal of quantum chemistry, 70(4-5), 1998, pp. 1037-1043
HYDROXIDE ATTACK ON ACETYLENE - THEORETICAL STRUCTURES AND ENERGIES
Authors: DOLGOUNITCHEVA O ZAKRZEWSKI VG ORTIZ JV
Citation: O. Dolgounitcheva et al., HYDROXIDE ATTACK ON ACETYLENE - THEORETICAL STRUCTURES AND ENERGIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(9), 1997, pp. 1758-1762
IONIZATION ENERGIES OF ACRIDINE, PHENAZINE, AND DIAZAPHENANTHRENES
Authors: DOLGOUNITCHEVA O ZAKRZEWSKI VG ORTIZ JV
Citation: O. Dolgounitcheva et al., IONIZATION ENERGIES OF ACRIDINE, PHENAZINE, AND DIAZAPHENANTHRENES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(45), 1997, pp. 8554-8564
IONIZATION ENERGIES OF BENZO[A]PYRENE AND BENZO[E]PYRENE
Authors: ZAKRZEWSKI VG DOLGOUNITCHEVA O ORTIZ JV
Citation: Vg. Zakrzewski et al., IONIZATION ENERGIES OF BENZO[A]PYRENE AND BENZO[E]PYRENE, The Journal of chemical physics, 107(19), 1997, pp. 7906-7911
THEORETICAL-STUDY OF THE VALENCE IONIZATION ENERGIES AND ELECTRON-AFFINITIES OF LINEAR C-2N-6) CLUSTERS(1 (N=1)
Authors: OHNO M ZAKRZEWSKI VG ORTIZ JV VONNIESSEN W
Citation: M. Ohno et al., THEORETICAL-STUDY OF THE VALENCE IONIZATION ENERGIES AND ELECTRON-AFFINITIES OF LINEAR C-2N-6) CLUSTERS(1 (N=1), The Journal of chemical physics, 106(8), 1997, pp. 3258-3269
COMPARISON OF ELECTRON PROPAGATOR METHODS FOR CALCULATING ELECTRON DETACHMENT ENERGIES OF ANIONS
Authors: DOLGOUNITCHEVA O ZAKRZEWSKI VG ORTIZ JV
Citation: O. Dolgounitcheva et al., COMPARISON OF ELECTRON PROPAGATOR METHODS FOR CALCULATING ELECTRON DETACHMENT ENERGIES OF ANIONS, International journal of quantum chemistry, 65(5), 1997, pp. 463-469
SEMIDIRECT ELECTRON PROPAGATOR CALCULATIONS ON CHLOROBENZENE IONIZATION ENERGIES
Authors: ZAKRZEWSKI VG ORTIZ JV
Citation: Vg. Zakrzewski et Jv. Ortiz, SEMIDIRECT ELECTRON PROPAGATOR CALCULATIONS ON CHLOROBENZENE IONIZATION ENERGIES, Journal of molecular structure. Theochem, 388, 1996, pp. 351-357
DICHLOROBENZENE IONIZATION ENERGIES
Authors: ZAKRZEWSKI VG ORTIZ JV
Citation: Vg. Zakrzewski et Jv. Ortiz, DICHLOROBENZENE IONIZATION ENERGIES, Journal of physical chemistry, 100(33), 1996, pp. 13979-13984
A TEST OF PARTIAL 3RD-ORDER ELECTRON PROPAGATOR THEORY - VERTICAL IONIZATION ENERGIES OF AZABENZENES
Authors: ORTIZ JV ZAKRZEWSKI VG
Citation: Jv. Ortiz et Vg. Zakrzewski, A TEST OF PARTIAL 3RD-ORDER ELECTRON PROPAGATOR THEORY - VERTICAL IONIZATION ENERGIES OF AZABENZENES, The Journal of chemical physics, 105(7), 1996, pp. 2762-2769
IONIZATION ENERGIES OF ANTHRACENE, PHENANTHRENE, AND NAPHTHACENE
Authors: ZAKRZEWSKI VG DOLGOUNITCHEVA O ORTIZ JV
Citation: Vg. Zakrzewski et al., IONIZATION ENERGIES OF ANTHRACENE, PHENANTHRENE, AND NAPHTHACENE, The Journal of chemical physics, 105(19), 1996, pp. 8748-8753
ELECTRON-BINDING ENERGIES OF TCNQ AND TCNE
Authors: ZAKRZEWSKI VG DOLGOUNITCHEVA O ORTIZ JV
Citation: Vg. Zakrzewski et al., ELECTRON-BINDING ENERGIES OF TCNQ AND TCNE, The Journal of chemical physics, 105(14), 1996, pp. 5872-5877
DIRECT ALGORITHM FOR THE RANDOM-PHASE-APPROXIMATION
Authors: ZAKRZEWSKI VG DOLGOUNITCHEVA O ORTIZ JV
Citation: Vg. Zakrzewski et al., DIRECT ALGORITHM FOR THE RANDOM-PHASE-APPROXIMATION, International journal of quantum chemistry, 60(7), 1996, pp. 29-35
COMPARISON OF PERTURBATIVE AND MULTICONFIGURATIONAL ELECTRON PROPAGATOR METHODS
Authors: ZAKRZEWSKI VG ORTIZ JV NICHOLS JA HERYADI D YEAGER DL GOLAB JT
Citation: Vg. Zakrzewski et al., COMPARISON OF PERTURBATIVE AND MULTICONFIGURATIONAL ELECTRON PROPAGATOR METHODS, International journal of quantum chemistry, 60(1), 1996, pp. 29-36
ELECTRON PROPAGATOR CALCULATIONS ON LINEAR AND BRANCHED CARBON CLUSTER DIANIONS
Authors: ZAKRZEWSKI VG ORTIZ JV
Citation: Vg. Zakrzewski et Jv. Ortiz, ELECTRON PROPAGATOR CALCULATIONS ON LINEAR AND BRANCHED CARBON CLUSTER DIANIONS, The Journal of chemical physics, 102(1), 1995, pp. 294-300
SEMIDIRECT ALGORITHMS FOR 3RD-ORDER ELECTRON PROPAGATOR CALCULATIONS
Authors: ZAKRZEWSKI VG ORTIZ JV
Citation: Vg. Zakrzewski et Jv. Ortiz, SEMIDIRECT ALGORITHMS FOR 3RD-ORDER ELECTRON PROPAGATOR CALCULATIONS, International journal of quantum chemistry, 53(6), 1995, pp. 583-590
STUDY OF THE VALENCE ELECTRONIC-STRUCTURE OF THE DIENE CLASS OF COMPOUNDS BY ELECTRON MOMENTUM SPECTROSCOPY AND GREEN-FUNCTION METHODS .1. 1,2-PROPADIENE
Authors: BRAIDWOOD SW BRUNGER MJ WEIGOLD E VONNIESSEN W ZAKRZEWSKI VG
Citation: Sw. Braidwood et al., STUDY OF THE VALENCE ELECTRONIC-STRUCTURE OF THE DIENE CLASS OF COMPOUNDS BY ELECTRON MOMENTUM SPECTROSCOPY AND GREEN-FUNCTION METHODS .1. 1,2-PROPADIENE, Journal of physics. B, Atomic molecular and optical physics, 27(10), 1994, pp. 2075-2087
ELECTRON MOMENTUM SPECTROSCOPY OF METHYLAMINE
Authors: SAMARDZIC O WEIGOLD E VONNIESSEN W ZAKRZEWSKI VG BRUNGER MJ
Citation: O. Samardzic et al., ELECTRON MOMENTUM SPECTROSCOPY OF METHYLAMINE, Chemical physics, 182(2-3), 1994, pp. 361-373
STRUCTURES, STABILITIES AND ADIABATIC IONIZATION AND ELECTRON-AFFINITY ENERGIES OF SMALL SULFUR CLUSTERS S3-S5
Authors: ZAKRZEWSKI VG VONNIESSEN W
Citation: Vg. Zakrzewski et W. Vonniessen, STRUCTURES, STABILITIES AND ADIABATIC IONIZATION AND ELECTRON-AFFINITY ENERGIES OF SMALL SULFUR CLUSTERS S3-S5, Theoretica Chimica Acta, 88(1), 1994, pp. 75-96
ELECTRON PROPAGATOR THEORY OF ZNC5H5, ZN(C5H5)(2), AND RELATED IONS
Authors: ZAKRZEWSKI VG ORTIZ JV
Citation: Vg. Zakrzewski et Jv. Ortiz, ELECTRON PROPAGATOR THEORY OF ZNC5H5, ZN(C5H5)(2), AND RELATED IONS, Journal of physical chemistry, 98(50), 1994, pp. 13198-13202
VERTICAL AND ADIABATIC IONIZATION ENERGIES AND ELECTRON-AFFINITIES OFNEW SI(N)C AND SI(N)O (N=1-3) MOLECULES
Authors: BOLDYREV AI SIMONS J ZAKRZEWSKI VG VONNIESSEN W
Citation: Ai. Boldyrev et al., VERTICAL AND ADIABATIC IONIZATION ENERGIES AND ELECTRON-AFFINITIES OFNEW SI(N)C AND SI(N)O (N=1-3) MOLECULES, Journal of physical chemistry, 98(5), 1994, pp. 1427-1435
ELECTRON PROPAGATOR THEORY OF ZNCH3, ZN(CH3)(2), AND RELATED IONS
Authors: ZAKRZEWSKI VG ORTIZ JV
Citation: Vg. Zakrzewski et Jv. Ortiz, ELECTRON PROPAGATOR THEORY OF ZNCH3, ZN(CH3)(2), AND RELATED IONS, The Journal of chemical physics, 100(9), 1994, pp. 6508-6513
ELECTRON-BINDING ENERGIES OF LINEAR C-3, C-5, C-7, AND C-9 CLUSTERS
Authors: ORTIZ JV ZAKRZEWSKI VG
Citation: Jv. Ortiz et Vg. Zakrzewski, ELECTRON-BINDING ENERGIES OF LINEAR C-3, C-5, C-7, AND C-9 CLUSTERS, The Journal of chemical physics, 100(9), 1994, pp. 6614-6619
SEMIDIRECT ALGORITHMS IN ELECTRON PROPAGATOR CALCULATIONS
Authors: ZAKRZEWSKI VG ORTIZ JV
Citation: Vg. Zakrzewski et Jv. Ortiz, SEMIDIRECT ALGORITHMS IN ELECTRON PROPAGATOR CALCULATIONS, International journal of quantum chemistry, 1994, pp. 23-27
Risultati: 1-25 | 26-27