All Stories

  1. The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations
  2. The excited states of azulene: A study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states
  3. The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations
  4. The vacuum ultraviolet absorption spectrum of norbornadiene: Vibrational analysis of the singlet and triplet valence states of norbornadiene by configuration interaction and density functional calculations
  5. High-level studies of the ionic states of norbornadiene and quadricyclane, including analysis of new experimental photoelectron spectra by configuration interaction and coupled cluster calculations
  6. The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods
  7. The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods
  8. Interplay among work function, electronic structure and stoichiometry in nanostructured VOx films
  9. Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study
  10. Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine
  11. The electronically excited states of cyclooctatetraene—An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods
  12. The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods
  13. Comparative Experimental and Theoretical Study of the Fe L2,3-Edges X-ray Absorption Spectroscopy in Three Highly Popular, Low-Spin Organoiron Complexes: [Fe(CO)5], [(η5-C5H5)Fe(CO)(μ-CO)]2, and [(η5-C5H5)2Fe]
  14. Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol
  15. Electronic structure modifications induced by increased molecular complexity: from triphenylamine to m-MTDATA
  16. Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies
  17. Spectroscopic Fingerprints of Intermolecular H‐Bonding Interactions in Carbon Nitride Model Compounds
  18. The photoelectron spectra of the isomeric 1- and 2-methyltetrazoles; their equilibrium structures and vibrational analysis byab initiocalculations
  19. Lone-Pair Delocalization Effects within Electron Donor Molecules: The Case of Triphenylamine and Its Thiophene-Analog
  20. The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study byab initioconfiguration interaction and density functional computations
  21. A new XUV optical end-station to characterize compact and flexible photonic devices using synchrotron radiation
  22. S2p core level spectroscopy of short chain oligothiophenes
  23. Conclusively Addressing the CoPc Electronic Structure: A Joint Gas-Phase and Solid-State Photoemission and Absorption Spectroscopy Study
  24. The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations
  25. A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene
  26. A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene
  27. Electronic structure investigation of biphenylene films
  28. Study of the electronic structure of short chain oligothiophenes
  29. Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene
  30. The multielectron character of the S 2p→4eg shape resonance in the SF6 molecule studied via detection of soft X-ray emission and neutral high-Rydberg fragments
  31. Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene
  32. Ultrafast Charge Transfer Pathways Through A Prototype Amino-Carboxylic Molecular Junction
  33. Time-dependent quantum simulation of coronene photoemission spectra
  34. Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment
  35. Atomic contributions to the valence band photoelectron spectra of metal-free, iron and manganese phthalocyanines
  36. Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations
  37. The Low Density Matter (LDM) beamline at FERMI: optical layout and first commissioning
  38. Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations
  39. The ionic states of iodobenzene studied by photoionization andab initioconfiguration interaction and DFT computations
  40. The electronic characterization of biphenylene—Experimental and theoretical insights from core and valence level spectroscopy
  41. Characterization of gas phase iron phthalocyanine with X-ray photoelectron and absorption spectroscopies
  42. Intermolecular Hydrogen Bonding and Molecular Orbital Distortion in 4-Hydroxycyanobenzene Investigated by X-ray Spectroscopy
  43. Metallic picene/C60heterojunctions and the effect of potassium doping
  44. Double-configuration grating monochromator for extreme-ultraviolet ultrafast pulses
  45. Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene
  46. An experimental and theoretical study of the resonant Auger spectrum of the ethene molecule
  47. Comment on: “Valence ionization of l-proline amino acid: Experimental and theoretical study” by F. Fathi, H. Farrokhpour, Chem. Phys. Lett. 565 (2013) 102
  48. Elucidating the 3d Electronic Configuration in Manganese Phthalocyanine
  49. Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides
  50. Use of two-dimensional photoelectron spectroscopy in the decomposition of an inner-shell excitation spectrum broadened by super-Coster-Kronig decay
  51. The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction
  52. A velocity map imaging apparatus for gas phase studies at FERMI@Elettra
  53. Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization
  54. Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations
  55. Tailoring SAM-on-SAM Formation
  56. Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations
  57. O 1s excitation and ionization processes in the CO2molecule studied via detection of low-energy fluorescence emission
  58. Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
  59. Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study
  60. Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp 3 and LuCp 3 †
  61. Dissociative photoionization of the NO molecule studied by photoelectron–photon coincidence technique
  62. Tautomerism in Cytosine and Uracil: A Theoretical and Experimental X-ray Absorption and Resonant Auger Study
  63. Amine Functionalization of Gold Surfaces: Ultra High Vacuum Deposition of Cysteamine on Au(111)
  64. Synchrotron radiation photoionization mass spectrometry of laser ablated species
  65. Nanostructured TiOx film on Si substrate: room temperature formation of TiSix nanoclusters
  66. UV-visible emission as a probe of core excitations applied to the furan and carbon dioxide molecules
  67. X-ray Absorption Spectroscopy of VOCl3, CrO2Cl2, and MnO3Cl: An Experimental and Theoretical Study
  68. State-specific reactions and autoionization dynamics of Ar2+ produced by synchrotron radiation
  69. A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3+
  70. Electronic state resolved PEPICO spectroscopy of pyrimidine
  71. Probing the chemical reactivity of free titanium clusters by x-ray absorption spectroscopy
  72. A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine
  73. Interference effects in the decay of the3d→5p,6pexcitations of Kr studied with fluorescence spectroscopy
  74. The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase
  75. Investigation of the Amino Acids Glycine, Proline, and Methionine by Photoemission Spectroscopy
  76. Spin–orbit-activated interchannel coupling in the 3d photoionization of barium atoms
  77. Vis–UV fluorescence studies of fragments resulting from the relaxation of molecular core hole states
  78. Photoemission and the shape of amino acids
  79. Dissociative double photoionization of N2 using synchrotron radiation: Appearance energy of the N2+ dication
  80. Photofragmentation of guanine, cytosine, leucine and methionine
  81. An X-ray absorption study of glycine, methionine and proline
  82. Soft X-ray excitation of luminescence in wide bandgap crystals doped with rare-earth ions
  83. Observation of core-hole double excitations in water using fluorescence spectroscopy
  84. Fluorescence emission from photo-fragments after resonant S 2p excitations in H2S
  85. Photoelectron spectroscopy of Ce(η-C5H5)3 – Accessing two ion states on 4f ionization
  86. Observation of an (N+−N= 4) ro-vibrational transition in the photoionization of D2
  87. Core level spectroscopy of free titanium clusters in supersonic beams
  88. Quantitative evaluation of sp/sp2 hybridization ratio in cluster-assembled carbon films by in situ near edge X-ray absorption fine structure spectroscopy
  89. Resonant Auger spectroscopy of metastable molecular oxygen
  90. Detection of thePe1Series of Doubly Excited Helium States belowN=2via the Stark Effect
  91. Fluorescence Emission of Excited Hydrogen Atoms after Core Excitation of Water Vapor
  92. Fluorescence emission following core excitations in the water molecule
  93. Observation of the spin–orbit activated interchannel coupling in the 3d photoionization of caesium atoms
  94. Strong Oscillations in Molecular Valence Photoemission Intensities
  95. Branching ratios in the radiative decay of helium doubly excited states
  96. Electronic Structure of M(BH 4 ) 4 , M = Zr, Hf, and U, by Variable Photon-Energy Photoelectron Spectroscopy and Density Functional Calculations
  97. Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes
  98. β-parameter measurements of state-selected rotational transitions near the ν+= 0 threshold ofpara-H2
  99. A new system for photon induced fluorescence spectroscopy applied to the study of doubly excited states of helium
  100. Photoabsorption and resonant photoemission in the region of Ne 1s double excitations
  101. The resonant 4d photoemission spectrum of atomic cesium
  102. Photoabsorption cross section and ion-yield spectra of helium double-excitation resonances
  103. Gas-Phase Photoemission Investigation of Diethynylthiophene:  Experiment and Theory
  104. Measurements of photoelectron angular distributions for rotationally resolved transitions in para-H2+
  105. A theoretical study of the1B1(O 1s    *) and1A1(O 1s   3s) excited states of formaldehyde
  106. Time dependent density functional theory of core electrons excitations
  107. Autoionisation of superexcited states in N2 to the N2+ B state
  108. Krypton3pexcitations and subsequent resonant Auger decay
  109. Near Edge X-ray Absorption Spectra of Some Small Polyatomic Molecules
  110. Electronic Structure of ReO3Me by Variable Photon Energy Photoelectron Spectroscopy, Absorption Spectroscopy and Density Functional Calculations
  111. High resolution inner-shell spectroscopy and ab initio CI calculations on TiCl4 and isoelectronic moleculesElectronic supplementary information (ESI) available: All excitation energies and oscillator strengths for TiCl4, VOCl3, CrO2Cl2 and MnO3Cl, incl...
  112. Photoionisation of ethylene clusters by synchrotron radiation in the energy range 17–50 eV
  114. Inner shell excitation spectroscopy of the tetrahedral molecules CX4(X = H, F, Cl)
  115. High resolution K-edge spectroscopy of oxygen transient species: the metastable O2 a1Δg molecule and the O (3P) atom
  116. Angular distribution in resonant Auger spectra of xenon excited below the3d5/2ionization threshold
  117. Synchrotron radiation photoemission study of some π-conjugated alkynes in the gas phase: Experiment and theory
  118. A critical comparison of selected 1s and 2p core hole widths
  119. The high resolution Gas Phase Photoemission beamline, Elettra
  120. Vibrationally resolved oxygen K→Π∗ spectra of O2 and CO
  121. L1−L2,3MCoster-Kronig transitions in argon
  122. Measurement andab initiocalculation of the Ne photoabsorption spectrum in the region of theKedge
  123. Angular distribution in xenonM4,5N4,5N4,5Auger decay
  124. Vibrational structure of core to Rydberg state excitations of carbon dioxide and dinitrogen oxide
  125. A high-resolution study of the threshold photoelectron spectrum of helium
  126. The gas-phase photoemission beamline at Elettra
  127. System for controlling the variable-angle spherical-grating monochromators at Elettra
  128. Investigation of the bonding in methyl titanium trichloride by variable-energy photoelectron spectroscopy and density functional calculations
  129. Resonant processes in the gas-phase photoemission of neopentane with variable photon energy
  130. Gas-phase valence photoelectron spectra of Ni(II) acetylacetonate with synchrotron radiation
  131. Inner-shell d excitation in gas phase heavy-metal halides by synchrotron radiation photoemission and ab initio CI calculations
  132. Correlation effects in the valence shells of ZnCl2: a synchrotron radiation photoemission study
  133. Coster-Kronig decay of 3pcore-excited states of atomic zinc
  134. Photoionization energetics and dynamics of gas‐phase SnCl2 by synchrotron radiation photoemission and configuration interaction calculations
  135. Electronic structure of SnCl2 by HeI and HeII gas-phase photoelectron spectroscopy and pseudo-potential calculations