Paul T. Brain

Structure Analysis Restrained by<i>ab Initio</i>Calculations:  The Molecular Structure of 2,5-Dichloropyrimidine in Gaseous and Crystalline Phases

Alexander J. Blake, Paul T. Brain, Hamish McNab et al. · The Journal of Physical Chemistry · 1996 · 175 citations

Tetraborane(10), B4H10: structures in gaseous and crystalline phases

Paul T. Brain, Carole A. Morrison, Simon Parsons et al. · Journal of the Chemical Society Dalton Transactions · 1996 · 97 citations

Materials Science, Crystal Structure, Engineering +13

1-Phenyl-1,2-dicarba-<i>closo</i>-dodecaborane, 1-Ph-1,2-<i>closo</i>-C₂B₁₀H₁₁. Synthesis, Characterization, and Structure As Determined in the Gas Phase by Electron Diffraction, in the Crystalline Phase at 199 K by X-ray Diffraction, and by <i>ab Initio</i> Computations

Paul T. Brain, Jill Cowie, David J. Donohoe et al. · Inorganic Chemistry · 1996 · 69 citations

Crystal Structure, Engineering, Organic Chemistry +18

Accurate Equilibrium Structures Obtained from Gas-Phase Electron Diffraction Data:  Sodium Chloride

Philip D. McCaffrey, Richard Mawhorter, Andrew R. Turner et al. · The Journal of Physical Chemistry A · 2007 · 49 citations

Sodium Chloride, Crystal Structure, Accurate Equilibrium Structures +19

Molecular structure of trimethylamine–gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies †

Paul T. Brain, Helen E. Brown, Anthony J. Downs et al. · Journal of the Chemical Society Dalton Transactions · 1998 · 38 citations

Crystal Structure, Engineering, Theoretical Inorganic Chemistry +16