Ab Initio Calculations

Spectroscopic Study of the Br−+CH3I→I−+CH3Br SN2 Reaction
Mass spectrometry and anion photoelectron spectroscopy have been used to study the gas-phase SN2 reaction involving Br- and CH3I. The …
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Spectroscopic Study of the Br−+CH3I→I−+CH3Br SN2 Reaction
Photoelectron Spectroscopy and Structures of X-...CH2O (X=F, Cl, Br, I) Complexes
A combined experimental and theoretical approach has been used to investigate X−$\cdots$CH2O (X=F, Cl, Br, I) complexes in the gas …
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Photoelectron Spectroscopy and Structures of X-...CH2O (X=F, Cl, Br, I) Complexes
Spectroscopic Investigation of Chalcogen Bonding: Halide–Carbon Disulfide Complexes
A combined experimental and theoretical approach has been used to study intermolecular chalcogen bonding. Specifically, the chalcogen …
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Spectroscopic Investigation of Chalcogen Bonding: Halide–Carbon Disulfide Complexes
Towards an Understanding of Halide Interactions with the Carbonyl-Containing Molecule CH3CHO
The anion photoelectron spectra of Cl−$\cdots$CD3CDO, Cl−$\cdots$(CD3CDO)2, Br−$\cdots$CD3CDO, and I−$\cdots$CD3CDO are presented with …
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Towards an Understanding of Halide Interactions with the Carbonyl-Containing Molecule CH3CHO