Benchmark <i>ab initio</i> proton affinity of glycine
نویسندگان
چکیده
A comprehensive conformational search and high-level composite ab initio computations provide benchmark proton affinities gas-phase basicities for glycine.
منابع مشابه
Dissociation of proton-bound complexes and proton affinity of benzamides.
Proton-bound heterodimers of substituted benzamides 1-15 and N,N-dimethyl benzamides 16-30, respectively, with a series of reference bases were generated under chemical ionization conditions. Their dissociation into the protonated amide AH(+) and protonated reference base BH(+) was studied by metastable ion techniques and by collision-induced dissociation (CID) to examine substituent effects on...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d1cp00376c