Measuring electron-impact cross sections of water: elastic scattering and electronic excitation of the ã3B1 and Ã1B1 states

Absolute cross section measurements for the scattering of low- and intermediate-energy electrons from PF3. I. Elastic scattering

“…Note that this modifies substantially the derived integral cross section as well as the momentum transfer cross section values which tend to be much higher when dipole interactions are included. It is also noteworthy that the backward peaking below 6.0 eV, which was found in other polar molecular targets, 36,37 is not evident from the present measurements. This larger angle region also contributes to the determination of the ICS and the MTCS and therefore calculated and extrapolated values can be again crucial.…”

Excitation and ionisation cross-sections in condensed-phase biomaterials by electrons down to very low energy: application to liquid water and genetic building blocks

“…Measurements of electronic excitation cross-sections are usually restricted to some particular channels. 18,19,21,74 However, data for many more transitions are provided in ref. 20, which is the most complete information currently available to the best of our knowledge.…”

“…10,11 Plenty of experimental information is available on electronimpact ionisation cross-sections (total probabilities as well as energy spectra of ejected electrons) of relevant biomolecules (such as water or DNA nucleobases), however it is usually limited to the gas phase, [12][13][14][15][16][17] without taking into account the condensed-phase nature of living organisms. Experimental data on electronic excitations are much scarcer and scattered 16,[18][19][20][21] and also limited just to molecules in the gas phase, with only a few exceptions. 22 An alternative for gathering all relevant cross-sections resorts into theoretical calculations, where some very successful ab initio approaches are available for calculating both excitation and ionisation cross-sections.…”

Identifying Thermal Decomposition Products of Nitrate Ester Explosives Using Gas Chromatography–Vacuum Ultraviolet Spectroscopy: An Experimental and Computational Study

“…Previous literature attributes a shoulder at 7.1 eV to theã 3 B 1 transition. [52][53]57 Computationally, the second excited state in the TDDFT calculation was observed at 10.02 eV and the molecular orbital diagram for this valence transition is seen in Fig. 5b.…”