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Paul T. Brain

University of Edinburgh

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Molecular structures of M(Bu t ) 3 (M = Al, Ga, In) using gas-phase electron diffraction and ab initio calculations: experimental and computational evidence for charge-transfer processes leading to photodissociation†

2008 Dalton Transactions
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The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO2CF3)2, as studied in the gas phase by electron diffraction restrained by ab initio calculations

2007 Dalton Transactions
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The Molecular Structures of the Three Disilylbenzenes Determined in the Gas Phase, the Solid State and by ab initio Calculations

2002 Zeitschrift für Naturforschung B
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Preparation and properties of gallaborane, GaBH6: structure of the gaseous molecule H2Ga(μ-H)2BH2 as determined by vibrational, electron diffraction, and ab initio studies, and structure of the crystalline solid at 110 K as determined by x-ray diffraction``

2001 Inorganic Chemistry
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Monochlorogallane: physical properties and structure of the gaseous molecule H2Ga(mu-Cl)2GaH2 as determined by vibrational, electron diffraction, and ab initio studies.

2000 Inorganic Chemistry
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Dimethylalane, [Me2AlH]n, in the Vapor Phase and in Hydrocarbon Solution: Gas-Phase Electron Diffraction, Spectroscopic, Colligative, and ab Initio Studies

2000 Organometallics
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Molecular Structure of 3,4-Difluorofuran-2,5-dione (Difluoromaleic Anhydride) As Determined by Electron Diffraction and Microwave Spectroscopy in the Gas Phase and by Theoretical Computations

1999 Journal of Physical Chemistry A
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The molecular structure of thiazole, determined by the combined analysis of gas-phase electron diffraction (GED) data and rotational constants and by ab initio calculations

1999 Physical Chemistry Chemical Physics
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Differences Between Gas‐Phase and Solid‐State Molecular Structures of the Simplest Phosphonium Ylide, Me3P=CH2

1998 Angewandte Chemie
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MOLECULAR STRUCTURE OF CHLORODIFLUORONITROSOMETHANE, CCIF2NO, AS DETERMINED IN THE GAS PHASE BY ELECTRON DIFFRACTION AND AB INITIO CALCULATIONS

1998 Inorganic Chemistry
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