Matrix isolation FT-IR spectroscopy and molecular orbital study of sarcosine methyl ester

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Gómez-Zavaglia, Andrea; Fausto, R.;
(2004)
  • Subject: DFT calculations | Conformers | N-methylglycine methyl ester | Matrix isolation FT-IR spectroscopy

N-methylglycine methyl ester (sarcosine-Me) has been studied by matrix isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d,p) and 6-31++G(d,p) basis set, respectively. Twelve different ... View more
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