Articles with "phase thermochemistry" as a keyword



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Gas-phase thermochemistry of noncovalent ligand-alkali metal ion clusters: An impact of low frequencies.

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Published in 2023 at "Journal of computational chemistry"

DOI: 10.1002/jcc.27129

Abstract: The experimental gas-phase thermochemistry of reactions: M+ (S)n-1  + S → M+ (S)n and M+ + nS→ M+ (S)n , where M is an alkali metal and S is acetonitrile/ammonia, is reproduced. Three approximations are tested: (1) scaled… read more here.

Keywords: gas phase; phase thermochemistry; alkali metal;