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Results: 1-25 | 26-34
Results: 1-25/34
Electronic spectra of linear isoelectronic species HC6H+, C6H, HC5N+
Authors: Cao, ZX Peyerimhoff, SD
Citation: Zx. Cao et Sd. Peyerimhoff, Electronic spectra of linear isoelectronic species HC6H+, C6H, HC5N+, PHYS CHEM P, 3(8), 2001, pp. 1403-1406
The electronic spectrum of C-11 in its linear and cyclic conformation
Authors: Muhlhauser, M Froudakis, GE Peyerimhoff, SD
Citation: M. Muhlhauser et al., The electronic spectrum of C-11 in its linear and cyclic conformation, PHYS CHEM P, 3(18), 2001, pp. 3913-3916
About the chemistry of phosphorus suboxides
Authors: Engels, B Valentim, ARS Peyerimhoff, SD
Citation: B. Engels et al., About the chemistry of phosphorus suboxides, ANGEW CHEM, 40(2), 2001, pp. 378-381
MRD-CI characterization of electronic spectra of isoelectronic species C-6(-), NC4N+, and CNC3N+
Authors: Cao, ZX Peyerimhoff, SD
Citation: Zx. Cao et Sd. Peyerimhoff, MRD-CI characterization of electronic spectra of isoelectronic species C-6(-), NC4N+, and CNC3N+, J PHYS CH A, 105(3), 2001, pp. 627-631
Resonant features of inelastic electron scattering off CF3Cl in the low-energy region
Authors: Beyer, T Nestmann, BM Peyerimhoff, SD
Citation: T. Beyer et al., Resonant features of inelastic electron scattering off CF3Cl in the low-energy region, J PHYS B, 34(18), 2001, pp. 3703-3716
Theoretical characterization of photoisomerization channels of dimethylpyridines on the singlet and triplet potential energy surfaces
Authors: Cao, ZX Zhang, QN Peyerimhoff, SD
Citation: Zx. Cao et al., Theoretical characterization of photoisomerization channels of dimethylpyridines on the singlet and triplet potential energy surfaces, CHEM-EUR J, 7(9), 2001, pp. 1927-1935
Theoretical studies on the electronic spectra of cyclic C-6, in D-3h and D-6h symmetries
Authors: Grein, F Franz, J Hanrath, M Peyerimhoff, SD
Citation: F. Grein et al., Theoretical studies on the electronic spectra of cyclic C-6, in D-3h and D-6h symmetries, CHEM PHYS, 263(1), 2001, pp. 55-60
Ab initio multireference configuration interaction study of the electronicspectra of carbon chain anions C-2n+1(-) (n=2-5)
Authors: Cao, ZX Peyerimhoff, SD Grein, F Zhang, Q
Citation: Zx. Cao et al., Ab initio multireference configuration interaction study of the electronicspectra of carbon chain anions C-2n+1(-) (n=2-5), J CHEM PHYS, 115(5), 2001, pp. 2062-2068
Ab initio study of the vibronic spectrum in the X (2)Pi electronic state of HCCS
Authors: Peric, M Marian, CM Peyerimhoff, SD
Citation: M. Peric et al., Ab initio study of the vibronic spectrum in the X (2)Pi electronic state of HCCS, J CHEM PHYS, 114(14), 2001, pp. 6086-6099
Ab initio MRD-CI study of excited states of chloromethanol ClCH2OH and photofragmentation along C-O and C-Cl cleavage
Authors: Schnell, M Muhlhauser, M Peyerimhoff, SD
Citation: M. Schnell et al., Ab initio MRD-CI study of excited states of chloromethanol ClCH2OH and photofragmentation along C-O and C-Cl cleavage, CHEM P LETT, 344(5-6), 2001, pp. 519-526
Ab initio CCSD(T) and MRD-CI study of excited states and the electronic spectrum of linear C-5(+)
Authors: Schnell, M Muhlhauser, M Froudakis, GE Peyerimhoff, SD
Citation: M. Schnell et al., Ab initio CCSD(T) and MRD-CI study of excited states and the electronic spectrum of linear C-5(+), CHEM P LETT, 340(5-6), 2001, pp. 559-564
The electronic spectrum of C-5
Authors: Hanrath, M Peyerimhoff, SD
Citation: M. Hanrath et Sd. Peyerimhoff, The electronic spectrum of C-5, CHEM P LETT, 337(4-6), 2001, pp. 368-374
MRD-CI study of the electronic spectrum of linear C-9
Authors: Muhlhauser, M Froudakis, GE Peyerimhoff, SD
Citation: M. Muhlhauser et al., MRD-CI study of the electronic spectrum of linear C-9, CHEM P LETT, 336(1-2), 2001, pp. 171-176
Spin-orbit induced predissociation dynamics of HCl+ and HBr+ ions: temporal and spectral representations
Authors: Korolkov, MV Weitzel, KM Peyerimhoff, SD
Citation: Mv. Korolkov et al., Spin-orbit induced predissociation dynamics of HCl+ and HBr+ ions: temporal and spectral representations, INT J MASS, 201(1-3), 2000, pp. 109-120
What are the reasons for the kinetic stability of a mixture of H-2 and O-2?
Authors: Filatov, M Reckien, W Peyerimhoff, SD Shaik, S
Citation: M. Filatov et al., What are the reasons for the kinetic stability of a mixture of H-2 and O-2?, J PHYS CH A, 104(51), 2000, pp. 12014-12020
A theoretical study of the radiationless decay mechanism of cyclic alkenesin the lowest triplet state
Authors: Woeller, M Grimme, S Peyerimhoff, SD Danovich, D Filatov, M Shaik, S
Citation: M. Woeller et al., A theoretical study of the radiationless decay mechanism of cyclic alkenesin the lowest triplet state, J PHYS CH A, 104(22), 2000, pp. 5366-5373
Geometry dependence of resonance background separation within the R-matrixapproach in the e(-)+CF3Cl system
Authors: Beyer, T Nestmann, BM Peyerimhoff, SD
Citation: T. Beyer et al., Geometry dependence of resonance background separation within the R-matrixapproach in the e(-)+CF3Cl system, J PHYS B, 33(21), 2000, pp. 4657-4672
Study of electron polarization and correlation effects in resonant and background electron scattering off CF3Cl
Authors: Beyer, T Nestmann, BM Peyerimhoff, SD
Citation: T. Beyer et al., Study of electron polarization and correlation effects in resonant and background electron scattering off CF3Cl, CHEM PHYS, 255(1), 2000, pp. 1-14
Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach
Authors: Mo, YR Gao, JL Peyerimhoff, SD
Citation: Yr. Mo et al., Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach, J CHEM PHYS, 112(13), 2000, pp. 5530-5538
The electronic spectrum of linear and rhombic C-4
Authors: Muhlhauser, M Froudakis, GE Hanrath, M Peyerimhoff, SD
Citation: M. Muhlhauser et al., The electronic spectrum of linear and rhombic C-4, CHEM P LETT, 324(1-3), 2000, pp. 195-200
Computational prediction of the ISC rate for triplet norbornene
Authors: Harvey, JN Grimme, S Woeller, M Peyerimhoff, SD Danovich, D Shaik, S
Citation: Jn. Harvey et al., Computational prediction of the ISC rate for triplet norbornene, CHEM P LETT, 322(5), 2000, pp. 358-362
Locked alkenes with a short triplet state lifetime
Authors: Filatov, M Shaik, S Woeller, M Grimme, S Peyerimhoff, SD
Citation: M. Filatov et al., Locked alkenes with a short triplet state lifetime, CHEM P LETT, 316(1-2), 2000, pp. 135-140
Pathways for HCl formation in HO plus ClO reaction
Authors: Sumathi, R Peyerimhoff, SD
Citation: R. Sumathi et Sd. Peyerimhoff, Pathways for HCl formation in HO plus ClO reaction, PCCP PHYS C, 1(24), 1999, pp. 5429-5432
Density functional studies on HO+BrO and HO2+Br reactions
Authors: Sumathi, R Peyerimhoff, SD
Citation: R. Sumathi et Sd. Peyerimhoff, Density functional studies on HO+BrO and HO2+Br reactions, PCCP PHYS C, 1(17), 1999, pp. 3973-3979
Calorimetric and quantum chemical studies of some photodimers of anthracenes
Authors: Grimme, S Peyerimhoff, SD Bouas-Laurent, H Desvergne, JP Becker, HD Sarge, SM Dreeskamp, H
Citation: S. Grimme et al., Calorimetric and quantum chemical studies of some photodimers of anthracenes, PCCP PHYS C, 1(10), 1999, pp. 2457-2462
Risultati: 1-25 | 26-34