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Results: 1-25/43
Authors:
KOZLOWSKI PM
SPIRO TG
BERCES A
ZGIERSKI MZ
Citation: Pm. Kozlowski et al., LOW-LYING SPIN STATES OF IRON(II) PORPHINE, JOURNAL OF PHYSICAL CHEMISTRY B, 102(14), 1998, pp. 2603-2608
Authors:
BERCES A
MITCHELL SA
ZGIERSKI MZ
Citation: A. Berces et al., REACTIONS BETWEEN M-N (M = NB, MO AND N = 1, 2, 3, AND 4) AND N-2 - ADENSITY-FUNCTIONAL STUDY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(31), 1998, pp. 6340-6347
Authors:
SPIRO TG
KOZLOWSKI PM
ZGIERSKI MZ
Citation: Tg. Spiro et al., NEW DEVELOPMENTS IN THE CALCULATION OF METALLOPORPHYRIN RAMAN-SPECTRAVIA DENSITY-FUNCTIONAL THEORY, Journal of Raman spectroscopy, 29(10-11), 1998, pp. 869-879
Authors:
FERNANDEZRAMOS A
SMEDARCHINA Z
ZGIERSKI MZ
SIEBRAND W
Citation: A. Fernandezramos et al., MODE-SPECIFIC TUNNELING SPLITTINGS IN 9-HYDROXYPHENALENONE - COMPARISON OF 2 METHODS FOR DIRECT TUNNELING DYNAMICS, The Journal of chemical physics, 109(3), 1998, pp. 1004-1013
Authors:
SMEDARCHINA Z
ZGIERSKI MZ
SIEBRAND W
KOZLOWSKI PM
Citation: Z. Smedarchina et al., DYNAMICS OF TAUTOMERISM IN PORPHINE - AN INSTANTON APPROACH, The Journal of chemical physics, 109(3), 1998, pp. 1014-1024
Authors:
KOZLOWSKI PM
ZGIERSKI MZ
BAKER J
Citation: Pm. Kozlowski et al., THE INNER-HYDROGEN MIGRATION AND GROUND-STATE STRUCTURE OF PORPHYCENE, The Journal of chemical physics, 109(14), 1998, pp. 5905-5913
Authors:
YANG DS
ZGIERSKI MZ
HACKETT PA
Citation: Ds. Yang et al., BONDING AND STRUCTURE OF Y3C2 AND Y3C2+, The Journal of chemical physics, 108(9), 1998, pp. 3591-3597
Authors:
FOLEY MSC
BRADEN DA
HUDSON BS
ZGIERSKI MZ
Citation: Msc. Foley et al., AB-INITIO AND RESONANCE RAMAN STUDIES OF HEXAFLUORO-1,3-BUTADIENE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(8), 1997, pp. 1455-1459
Authors:
LUECK HB
HUDSON BS
FRIEDRICH DM
ZGIERSKI MZ
Citation: Hb. Lueck et al., RESONANCE RAMAN STUDIES OF BENZENE-DERIVATIVES WITH METHOXY SUBSTITUTION - CONFORMATIONAL SYMMETRY-BREAKING EFFECTS, Journal of Raman spectroscopy, 28(6), 1997, pp. 455-458
Authors:
ZGIERSKI MZ
Citation: Mz. Zgierski, QUANTUM-CHEMICAL STUDY OF THE VIBRONIC STRUCTURE OF THE PHOSPHORESCENCE AND T-1-]T-N ABSORPTION-SPECTRA OF NAPHTHALENE, The Journal of chemical physics, 107(19), 1997, pp. 7685-7689
Authors:
NEGRI F
ZGIERSKI MZ
Citation: F. Negri et Mz. Zgierski, THEORETICAL-ANALYSIS OF THE VIBRONIC STRUCTURE OF THE ZERO-KINETIC-ENERGY PHOTOELECTRON-SPECTRA FROM SINGLE VIBRONIC LEVELS OF THE S-1-STATE MANIFOLD OF NAPHTHALENE, The Journal of chemical physics, 107(13), 1997, pp. 4827-4843
Authors:
SIEBRAND W
ZGIERSKI MZ
ZERBETTO F
WOJCIK MJ
BOCZAR M
CHAKRABORTY T
KOFRON WG
LIM EC
Citation: W. Siebrand et al., ROTOR-VIBRATOR COUPLINGS IN PARTIALLY DEUTERATED TOLUENES, The Journal of chemical physics, 106(15), 1997, pp. 6279-6287
Authors:
SIEBRAND W
ZGIERSKI MZ
SMEDARCHINA ZK
Citation: W. Siebrand et al., PROTON-TRANSFER AND SOLVENT REORGANIZATION IN ORGANIC CLUSTERS - A THEORETICAL-STUDY, Chemical physics letters, 279(5-6), 1997, pp. 377-384
Authors:
YANG DS
ZGIERSKI MZ
BERCES A
HACKETT PA
MARTINEZ A
SALAHUB DR
Citation: Ds. Yang et al., THE STRUCTURE OF TRINIOBIUM DINITRIDE FROM ZERO ELECTRON KINETIC-ENERGY PHOTOELECTRON-SPECTROSCOPY AND DENSITY-FUNCTIONAL CALCULATIONS, Chemical physics letters, 277(1-3), 1997, pp. 71-78
Authors:
SIEBRAND W
ZGIERSKI MZ
SMEDARCHINA ZK
VENER M
KANETI J
Citation: W. Siebrand et al., THE STRUCTURE OF PHENOL-AMMONIA CLUSTERS BEFORE AND AFTER PROTON-TRANSFER - A THEORETICAL INVESTIGATION, Chemical physics letters, 266(1-2), 1997, pp. 47-52
Authors:
YANG DS
SIMARD B
HACKETT PA
BRECES A
ZGIERSKI MZ
Citation: Ds. Yang et al., DIYTTRIUM - EVIDENCE FOR A (5)SIGMA(-)(U) GROUND-STATE FROM PULSED-FIELD IONIZATION-ZERO ELECTRON KINETIC-ENERGY PHOTOELECTRON-SPECTROSCOPYAND DENSITY-FUNCTIONAL CALCULATIONS, International journal of mass spectrometry and ion processes, 159, 1996, pp. 65-74
Authors:
KOZLOWSKI PM
JARZECKI AA
PULAY P
LI XY
ZGIERSKI MZ
Citation: Pm. Kozlowski et al., VIBRATIONAL ASSIGNMENT AND DEFINITE HARMONIC FORCE-FIELD FOR PORPHINE.2. COMPARISON WITH NONRESONANCE RAMAN DATA, Journal of physical chemistry, 100(33), 1996, pp. 13985-13992
Authors:
WATSON JKG
SIEBRAND W
PAWLIKOWSKI M
ZGIERSKI MZ
Citation: Jkg. Watson et al., THEORY OF ODD TORSIONAL TRANSITIONS IN THE V-N RESONANCE RAMAN-SPECTRUM OF ETHYLENE, The Journal of chemical physics, 105(4), 1996, pp. 1348-1354
Authors:
YANG DS
ZGIERSKI MZ
BERCES A
HACKETT PA
ROY PN
MARTINEZ A
CARRINGTON T
SALAHUB DR
FOURNIER R
PANG T
CHEN CF
Citation: Ds. Yang et al., VIBRATIONAL AND GEOMETRIC STRUCTURES OF NB3C2 AND NB3C2-FIELD IONIZATION ZERO ELECTRON KINETIC-ENERGY PHOTOELECTRON-SPECTRA AND DENSITY-FUNCTIONAL CALCULATIONS( FROM PULSED), The Journal of chemical physics, 105(24), 1996, pp. 10663-10671
Authors:
PETELENZ P
SLAWIK M
YOKOI K
ZGIERSKI MZ
Citation: P. Petelenz et al., THEORETICAL CALCULATION OF THE ELECTROABSORPTION SPECTRA OF POLYACENECRYSTALS, The Journal of chemical physics, 105(11), 1996, pp. 4427-4440
Authors:
EILMES A
ZGIERSKI MZ
Citation: A. Eilmes et Mz. Zgierski, EFFECTS OF VIBRONIC COUPLING ON THE LOCAL FRENKEL STATES IN DOPED NAPHTHALENE CRYSTALS, The Journal of chemical physics, 104(8), 1996, pp. 2806-2812
Authors:
SMEDARCHINA Z
SIEBRAND W
ZGIERSKI MZ
Citation: Z. Smedarchina et al., MODE-SPECIFIC HYDROGEN TUNNELING IN TROPOLONE - AN INSTANTON APPROACH, The Journal of chemical physics, 104(4), 1996, pp. 1203-1212
Authors:
NEGRI F
ZGIERSKI MZ
Citation: F. Negri et Mz. Zgierski, VIBRONIC STRUCTURE OF THE EMISSION-SPECTRA FROM SINGLE VIBRONIC LEVELS OF THE S-1 MANIFOLD IN NAPHTHALENE - THEORETICAL SIMULATION, The Journal of chemical physics, 104(10), 1996, pp. 3486-3500
Authors:
BERCES A
ZGIERSKI MZ
Citation: A. Berces et Mz. Zgierski, THEORETICAL-ANALYSIS OF THE TRIPLET EXCITED-STATES OF DIFLUOROSILYLENE - A DENSITY-FUNCTIONAL STUDY, Chemical physics letters, 257(1-2), 1996, pp. 61-67
Authors:
WORKENTIN MS
WAGNER BD
NEGRI F
ZGIERSKI MZ
LUSZTYK J
SIEBRAND W
WAYNER DDM
Citation: Ms. Workentin et al., N-6(CENTER-DOT-) - SPECTROSCOPIC-STUDIES AND THEORETICAL-STUDIES OF AN UNUSUAL PSEUDOHALOGEN RADICAL-ANION, Journal of physical chemistry, 99(1), 1995, pp. 94-101