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Electron momentum spectroscopy of the HOMO of acetone

Paper ID Volume ID Publish Year Pages File Format Full-Text
29361 44158 2006 5 PDF Available
Title
Electron momentum spectroscopy of the HOMO of acetone
Abstract

Electron momentum profiles of the highest occupied molecular orbital (HOMO) of acetone have been measured under experimental conditions where a use of the plane-wave impulse approximation is justified. A double peak is observed in the experimental profile and it was found that calculated profiles by the use of the standard basis set always underestimate the magnitude of the low-momentum peak. Possible origins of the discrepancies between the calculated and measured profiles are examined, leading to an improved agreement by modifying the exponents of diffuse functions employed.

Keywords
Electron momentum spectroscopy; Momentum profile; Acetone
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Electron momentum spectroscopy of the HOMO of acetone
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 178, Issues 2ā€“3, 20 March 2006, Pages 281ā€“285
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
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Price was $35.95
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