All Stories

  1. The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations
  2. High-level studies of the singlet states of quadricyclane, including analysis of a new experimental vacuum ultraviolet absorption spectrum by configuration interaction and density functional calculations
  3. The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations
  4. 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
  5. The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations
  6. 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
  7. 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
  8. 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
  9. 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
  10. Interplay among work function, electronic structure and stoichiometry in nanostructured VOx films
  11. Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study
  12. Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine
  13. The electronically excited states of cyclooctatetraene—An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods
  14. The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods
  15. 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]
  16. Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol
  17. Electronic structure modifications induced by increased molecular complexity: from triphenylamine to m-MTDATA
  18. 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
  19. Spectroscopic Fingerprints of Intermolecular H‐Bonding Interactions in Carbon Nitride Model Compounds
  20. The photoelectron spectra of the isomeric 1- and 2-methyltetrazoles; their equilibrium structures and vibrational analysis byab initiocalculations
  21. Lone-Pair Delocalization Effects within Electron Donor Molecules: The Case of Triphenylamine and Its Thiophene-Analog
  22. The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study byab initioconfiguration interaction and density functional computations
  23. A new XUV optical end-station to characterize compact and flexible photonic devices using synchrotron radiation
  24. S2p core level spectroscopy of short chain oligothiophenes
  25. Conclusively Addressing the CoPc Electronic Structure: A Joint Gas-Phase and Solid-State Photoemission and Absorption Spectroscopy Study
  26. The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations
  27. A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene
  28. A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene
  29. Electronic structure investigation of biphenylene films
  30. Study of the electronic structure of short chain oligothiophenes
  31. Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene
  32. 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
  33. Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene
  34. Ultrafast Charge Transfer Pathways Through A Prototype Amino-Carboxylic Molecular Junction
  35. Time-dependent quantum simulation of coronene photoemission spectra
  36. Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment
  37. Atomic contributions to the valence band photoelectron spectra of metal-free, iron and manganese phthalocyanines
  38. Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations
  39. The Low Density Matter (LDM) beamline at FERMI: optical layout and first commissioning
  40. Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations
  41. The ionic states of iodobenzene studied by photoionization andab initioconfiguration interaction and DFT computations
  42. The electronic characterization of biphenylene—Experimental and theoretical insights from core and valence level spectroscopy
  43. Characterization of gas phase iron phthalocyanine with X-ray photoelectron and absorption spectroscopies
  44. Intermolecular Hydrogen Bonding and Molecular Orbital Distortion in 4-Hydroxycyanobenzene Investigated by X-ray Spectroscopy
  45. Metallic picene/C60heterojunctions and the effect of potassium doping
  46. Double-configuration grating monochromator for extreme-ultraviolet ultrafast pulses
  47. Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene
  48. An experimental and theoretical study of the resonant Auger spectrum of the ethene molecule
  49. Comment on: “Valence ionization of l-proline amino acid: Experimental and theoretical study” by F. Fathi, H. Farrokhpour, Chem. Phys. Lett. 565 (2013) 102
  50. Elucidating the 3d Electronic Configuration in Manganese Phthalocyanine
  51. Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides
  52. Use of two-dimensional photoelectron spectroscopy in the decomposition of an inner-shell excitation spectrum broadened by super-Coster-Kronig decay
  53. The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction
  54. A velocity map imaging apparatus for gas phase studies at FERMI@Elettra
  55. Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization
  56. Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations
  57. Tailoring SAM-on-SAM Formation
  58. Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations
  59. O 1s excitation and ionization processes in the CO2molecule studied via detection of low-energy fluorescence emission
  60. Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
  61. Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study
  62. Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp 3 and LuCp 3 †
  63. Dissociative photoionization of the NO molecule studied by photoelectron–photon coincidence technique
  64. Tautomerism in Cytosine and Uracil: A Theoretical and Experimental X-ray Absorption and Resonant Auger Study
  65. Amine Functionalization of Gold Surfaces: Ultra High Vacuum Deposition of Cysteamine on Au(111)
  66. Synchrotron radiation photoionization mass spectrometry of laser ablated species
  67. Nanostructured TiOx film on Si substrate: room temperature formation of TiSix nanoclusters
  68. UV-visible emission as a probe of core excitations applied to the furan and carbon dioxide molecules
  69. X-ray Absorption Spectroscopy of VOCl3, CrO2Cl2, and MnO3Cl: An Experimental and Theoretical Study
  70. State-specific reactions and autoionization dynamics of Ar2+ produced by synchrotron radiation
  71. A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3+
  72. Electronic state resolved PEPICO spectroscopy of pyrimidine
  73. Probing the chemical reactivity of free titanium clusters by x-ray absorption spectroscopy
  74. 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
  75. Interference effects in the decay of the3d→5p,6pexcitations of Kr studied with fluorescence spectroscopy
  76. The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase
  77. Investigation of the Amino Acids Glycine, Proline, and Methionine by Photoemission Spectroscopy
  78. Spin–orbit-activated interchannel coupling in the 3d photoionization of barium atoms
  79. Vis–UV fluorescence studies of fragments resulting from the relaxation of molecular core hole states
  80. Photoemission and the shape of amino acids
  81. Dissociative double photoionization of N2 using synchrotron radiation: Appearance energy of the N2+ dication
  82. Photofragmentation of guanine, cytosine, leucine and methionine
  83. An X-ray absorption study of glycine, methionine and proline
  84. Soft X-ray excitation of luminescence in wide bandgap crystals doped with rare-earth ions
  85. Observation of core-hole double excitations in water using fluorescence spectroscopy
  86. Fluorescence emission from photo-fragments after resonant S 2p excitations in H2S
  87. Photoelectron spectroscopy of Ce(η-C5H5)3 – Accessing two ion states on 4f ionization
  88. Observation of an (N+−N= 4) ro-vibrational transition in the photoionization of D2
  89. Core level spectroscopy of free titanium clusters in supersonic beams
  90. Quantitative evaluation of sp/sp2 hybridization ratio in cluster-assembled carbon films by in situ near edge X-ray absorption fine structure spectroscopy
  91. Resonant Auger spectroscopy of metastable molecular oxygen
  92. Detection of thePe1Series of Doubly Excited Helium States belowN=2via the Stark Effect
  93. Fluorescence Emission of Excited Hydrogen Atoms after Core Excitation of Water Vapor
  94. Fluorescence emission following core excitations in the water molecule
  95. Observation of the spin–orbit activated interchannel coupling in the 3d photoionization of caesium atoms
  96. Strong Oscillations in Molecular Valence Photoemission Intensities
  97. Branching ratios in the radiative decay of helium doubly excited states
  98. Electronic Structure of M(BH 4 ) 4 , M = Zr, Hf, and U, by Variable Photon-Energy Photoelectron Spectroscopy and Density Functional Calculations
  99. Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes
  100. β-parameter measurements of state-selected rotational transitions near the ν+= 0 threshold ofpara-H2
  101. A new system for photon induced fluorescence spectroscopy applied to the study of doubly excited states of helium
  102. Photoabsorption and resonant photoemission in the region of Ne 1s double excitations
  103. The resonant 4d photoemission spectrum of atomic cesium
  104. Photoabsorption cross section and ion-yield spectra of helium double-excitation resonances
  105. Gas-Phase Photoemission Investigation of Diethynylthiophene:  Experiment and Theory
  106. Measurements of photoelectron angular distributions for rotationally resolved transitions in para-H2+
  107. A theoretical study of the1B1(O 1s    *) and1A1(O 1s   3s) excited states of formaldehyde
  108. Time dependent density functional theory of core electrons excitations
  109. Autoionisation of superexcited states in N2 to the N2+ B state
  110. Krypton3pexcitations and subsequent resonant Auger decay
  111. Near Edge X-ray Absorption Spectra of Some Small Polyatomic Molecules
  112. Electronic Structure of ReO3Me by Variable Photon Energy Photoelectron Spectroscopy, Absorption Spectroscopy and Density Functional Calculations
  113. 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...
  114. Photoionisation of ethylene clusters by synchrotron radiation in the energy range 17–50 eV
  116. Inner shell excitation spectroscopy of the tetrahedral molecules CX4(X = H, F, Cl)
  117. High resolution K-edge spectroscopy of oxygen transient species: the metastable O2 a1Δg molecule and the O (3P) atom
  118. Angular distribution in resonant Auger spectra of xenon excited below the3d5/2ionization threshold
  119. Synchrotron radiation photoemission study of some π-conjugated alkynes in the gas phase: Experiment and theory
  120. A critical comparison of selected 1s and 2p core hole widths
  121. The high resolution Gas Phase Photoemission beamline, Elettra
  122. Vibrationally resolved oxygen K→Π∗ spectra of O2 and CO
  123. L1−L2,3MCoster-Kronig transitions in argon
  124. Measurement andab initiocalculation of the Ne photoabsorption spectrum in the region of theKedge
  125. Angular distribution in xenonM4,5N4,5N4,5Auger decay
  126. Vibrational structure of core to Rydberg state excitations of carbon dioxide and dinitrogen oxide
  127. A high-resolution study of the threshold photoelectron spectrum of helium
  128. The gas-phase photoemission beamline at Elettra
  129. System for controlling the variable-angle spherical-grating monochromators at Elettra
  130. Investigation of the bonding in methyl titanium trichloride by variable-energy photoelectron spectroscopy and density functional calculations
  131. Resonant processes in the gas-phase photoemission of neopentane with variable photon energy
  132. Gas-phase valence photoelectron spectra of Ni(II) acetylacetonate with synchrotron radiation
  133. Inner-shell d excitation in gas phase heavy-metal halides by synchrotron radiation photoemission and ab initio CI calculations
  134. Correlation effects in the valence shells of ZnCl2: a synchrotron radiation photoemission study
  135. Coster-Kronig decay of 3pcore-excited states of atomic zinc
  136. Photoionization energetics and dynamics of gas‐phase SnCl2 by synchrotron radiation photoemission and configuration interaction calculations
  137. Electronic structure of SnCl2 by HeI and HeII gas-phase photoelectron spectroscopy and pseudo-potential calculations