Publikationen von Klaus Hermann
Alle Typen
Zeitschriftenartikel (108)
41.
Zeitschriftenartikel
601 (23), S. 5394 - 5402 (2007)
Identification of the vanadyl terminated V2O3(0 0 0 1) surface by NEXAFS spectroscopy: A combined theoretical and experimental study. Surface Science 42.
Zeitschriftenartikel
124 (1-2), S. 21 - 27 (2007)
X-ray spectroscopic fingerprints of reactive oxygen sites at the MoO3(0 1 0) surface. Catalysis Today 43.
Zeitschriftenartikel
125 (3), 034701 (2006)
Adsorption geometry and core excitation spectra of three phenylpropene isomers on Cu(111). The Journal of Chemical Physics 44.
Zeitschriftenartikel
124 (3), 034302 (2006)
Spectroscopic analysis of small organic molecules: A comprehensive near-edge x-ray-absorption fine-structure study of C6-ring-containing molecules. The Journal of Chemical Physics 45.
Zeitschriftenartikel
127 (48), S. 17007 - 17011 (2005)
Critical influence of adsorption geometry in the heterogeneous epoxidation of "allylic" alkenes: Structure and reactivity of three phenylpropene isomers on Cu(111). Journal of the American Chemical Society 46.
Zeitschriftenartikel
123 (18), 184109 (2005)
The interaction of C6H6 and C6H12 with noble metal surfaces: Electronic level alignment and the origin of the interface dipole. The Journal of Chemical Physics 47.
Zeitschriftenartikel
114 (1-3), S. 60 - 67 (2005)
Ab initio DFT studies of oxygen K edge NEXAFS spectra for the V2O3(0001) surface. Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 48.
Zeitschriftenartikel
T115, S. 128 - 130 (2005)
Oxygen 1s NEXAFS spectra of the V2O5(010) surface theoretical studies using ab initio DFT cluster models. Physica Scripta 49.
Zeitschriftenartikel
393 (4-6), S. 361 - 366 (2004)
The C 1s NEXAFS spectrum of benzene below threshold: Rydberg or valence character of the unoccupied sigma-type orbitals. Chemical Physics Letters 50.
Zeitschriftenartikel
552 (1-3), S. 98 - 110 (2004)
Ab initio DFT cluster studies of angle-resolved NEXAFS spectra for differently coordinated oxygen at the V2O5(0 1 0) surface. Surface Science 51.
Zeitschriftenartikel
69 (1), S. 121 - 140 (2004)
Oxygen sites at molybdena and vanadia surfaces: Energetics of the re-oxidation process. Collection of Czechoslovak Chemical Communications 52.
Zeitschriftenartikel
545 (1-2), S. 85 - 98 (2003)
Ab initio density functional theory studies on oxygen stabilization at the V2O3(0001) surface. Surface Science 53.
Zeitschriftenartikel
525 (1-3), S. 33 - 45 (2003)
Relaxation and electronic structure of the V2O3(0 0 0 1) surface: ab initio cluster model studies. Surface Science 54.
Zeitschriftenartikel
525 (1-3), S. 46 - 56 (2003)
Structure and electronic properties of the V2O3(0001) surface: ab initio density functional theory cluster studies. Surface Science 55.
Zeitschriftenartikel
2 (III), S. 899 - 903 (2003)
Oxygen adsorption at the V2O3(0001) surface: DFT cluster model studies. Annals of the Polish Chemical Society 56.
Zeitschriftenartikel
118 (16), S. 7599 - 7609 (2003)
Identification of oxygen sites at the V2O5(010) surface by core-level electron spectroscopy: ab initio cluster studies. The Journal of Chemical Physics 57.
Zeitschriftenartikel
58, S. 338 - 342 (2002)
The NIST surface structure database - SSD version 4. Acta Crystallographica B 58.
Zeitschriftenartikel
491 (1-2), S. 77 - 87 (2001)
Electronic properties of the VO_2(011) surface: density functional cluster calculations. Surface Science 59.
Zeitschriftenartikel
187 (1), S. 137 - 149 (2001)
Electronic Structure of Vanadium Dioxide: Ab initio Density Functional Theory Studies of Periodic and Local Systems. Physica Status Solidi A 60.
Zeitschriftenartikel
489 (1-3), S. 107 - 125 (2001)
Properties of oxygen sites at the MoO_3(010) surface: density functional theory cluster studies and photoemission experiments. Surface Science