Now showing items 1-3 of 3
Molecular structure and conformational composition of methyl chloroacetate: An electron-diffraction and ab initio molecular orbital investigation
The molecular structure and conformational composition of methyl chloroacetate, H2ClCC(O)OCH3, have been determined by gas-phase electron-diffraction (GED), using results from ab initio molecular orbital calculations (HF, ...
The Molecular Structure of Hexamethyldigermane Determined by Gas-Phase Electron Diffraction with Theoretical Calculations for (CH3)(3)M-M(CH3)(3) Where M = C, Si, and Ge
(American Chemical Society, 2010-06-11)
Gas-phase electron diffraction (GED) data together with results from ab initio molecular orbital calculations (HF and MP2/6-311+G(d,p)) have been used to determine the structure of hexamethyldigermane ((CH3)3Ge−Ge(CH3)3). ...
Hydrogen Bonding in the Gas-Phase – The Molecular Structures of 2-Hydroxybenzamide (C7H7NO2) and 2-Methoxybenzamide (C8H9NO2), obtained by Gas-Phase Electron Diffraction and Theoretical Calculations.
(American Chemical Society, 2013-03-13)
The structures of 2-hydroxybenzamide (C 7 H 7 NO 2 ) and 2-methoxybenzamide (C 8 H 9 NO 2) have been determined in the gas-phase by electron diffraction using results from quantum chemical calculations to ...