Výsledky vyhledávání - "I. C. Walker"

The electronic states of buta-1,3-diene studied by ab initio configuration interaction and DFT methods, and electron energy loss spectroscopy

Autor: I. C. Walker, Michael H. Palmer

Publikováno v: Chemical Physics. 373:159-169

The electronic vertical excitation energies for singlet and triplet valence, and Rydberg states of trans-buta-1,3-diene have been computed using ab initio multi-reference multi-root CI procedures with a [4s3p3d3f] set of Rydberg functions. Close nume

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::25bc94cadeb5f2e3e39b8e23464c1c1d
https://doi.org/10.1016/j.chemphys.2010.04.016

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The valence shell electronic states of trimethylene oxide studied by photoabsorption andab initiomultireference configuration interaction calculations

Autor: David A. Shaw, Martyn F. Guest, Iain J. McEwen, D.M.P. Holland, I. C. Walker

Publikováno v: Molecular Physics. 107:1473-1483

The absolute photoabsorption cross section of trimethylene oxide has been measured between threshold and 30 eV using monochromated synchrotron radiation. Below the ionization threshold the spectrum exhibits numerous sharp peaks associated with Rydber

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ef0a1f1d4db1f7f61414c5cffff1206e
https://doi.org/10.1080/00268970902946368

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The valence shell electronic states of ethylene sulphide studied by photoabsorption and ab initio multireference configuration interaction calculations

Autor: Martyn F. Guest, I. C. Walker, Iain J. McEwen, David A. Shaw, D.M.P. Holland

Publikováno v: Chemical Physics. 344:227-236

The absolute photoabsorption cross section of ethylene sulphide has been measured between threshold and 30 eV using monochromated synchrotron radiation. Below the ionisation threshold the spectrum exhibits numerous sharp peaks associated with Rydberg

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::be90d8b6233dc780692fde1ee17e00d3
https://doi.org/10.1016/j.chemphys.2008.01.006

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The electronic states of but-2-yne studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio configuration interaction methods

Autor: I. C. Walker, Michael H. Palmer

Publikováno v: Chemical Physics. 340:158-170

The photoabsorption spectrum of but-2-yne in the range 5.5–11 eV (225–110 nm) has been recorded using a synchrotron radiation source. The spectrum is dominated by three d-type Rydberg series, converging to the first ionisation energy (IE) (π−1

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2673157a11680fd4e386eb2a25fe58ef
https://doi.org/10.1016/j.chemphys.2007.08.020

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The electronic states of cyclopropane studied by VUV absorption andab initiomultireference configuration interaction calculations

Autor: Martyn F. Guest, D.M.P. Holland, David A. Shaw, I. C. Walker, I. J. McEwen

Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 40:1875-1888

The absolute photoabsorption cross-section of cyclopropane has been measured between threshold and 30 eV using monochromated synchrotron radiation. The spectrum is dominated by prominent broad peaks arising from electronic transitions into valence-ex

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0ad013d7e515257d8c7f81a1a79de56c
https://doi.org/10.1088/0953-4075/40/10/021

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Ion-pair formation mechanisms in chloromethane, bromomethane and dichlorodifluoromethane

Autor: David A. Shaw, D.M.P. Holland, I. C. Walker

Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 39:3549-3560

The first absolute photoion-pair cross sections have been derived from measurements of the absolute photoabsorption cross section and the photoion-pair quantum efficiency. The results for CH3Cl, CH3Br and CF2Cl2 show that direct transitions into ion-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9ded2795badfd1fc558348c94586bafd
https://doi.org/10.1088/0953-4075/39/17/012

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A study of the valence shell photoelectron and photoabsorption spectra of CF3SF5

Autor: David A. Shaw, I. C. Walker, D.M.P. Holland, Edoardo Aprà, Martyn F. Guest, I. J. McEwen

Publikováno v: Journal of Physics B: Atomic, Molecular and Optical Physics. 38:2047-2067

The outer valence shell photoelectron spectrum of CF3SF5 has been studied experimentally and theoretically. Synchrotron radiation has been used to record angle-resolved outer valence shell photoelectron spectra of CF3SF5 in the photon energy range 18

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fee54befa8be8e33ffa61c2a90b2e546
https://doi.org/10.1088/0953-4075/38/12/017

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