The last few years have seen a very rapid growth in understanding the influence of non- bonded, particularly hydrogen-bonded interactions, on the shapes and conformations of …
Tautomerization of amino acids between the neutral form (NF) and the zwitterionic form (ZW) in water has been extensively studied, often using glycine as a model to understand this …
SG Stepanian, ID Reva, ED Radchenko… - The Journal of …, 1998 - ACS Publications
The IR spectra of nonionized glycine and its deuterated derivatives isolated in the low- temperature argon matrices have been measured, and for the first time the infrared spectral …
PD Holtom, CJ Bennett, Y Osamura… - The Astrophysical …, 2005 - iopscience.iop.org
We have investigated the synthesis of the simplest amino acid, glycine, by Galactic cosmic- ray particles in extraterrestrial ices. Laboratory experiments combined with electronic …
SG Stepanian, ID Reva, ED Radchenko… - The Journal of …, 1998 - ACS Publications
Two conformers of the nonionized α-alanine and its isotopomer N, N, Od 3-alanine have been observed in low-temperature Ar matrixes. Their infrared spectra have been analyzed …
AG Csaszar - The Journal of Physical Chemistry, 1996 - ACS Publications
Accurate geometries, relative energies, rotational and quartic centrifugal distortion constants, dipole moments, harmonic vibrational frequencies, and infrared intensities have …
Ab initio B3LYP/6-31G* optimized geometries, vibrational frequencies, and absorption intensities have been calculated for the l-alanine zwitterion (ALAZW) structures stabilized by …
G Mandelli, L Corneo, C Aieta - The Journal of Physical Chemistry …, 2023 - ACS Publications
We apply the full-dimensional Semiclassical Transition State Theory (SCTST) to estimate the rate constant of glycine molecule interconversion between the VIp and Ip conformers. We …
S Hoyau, G Ohanessian - Chemistry–A European Journal, 1998 - Wiley Online Library
FULL PAPER Page 1 Interaction of Alkali Metal Cations (Li ± Cs ) with Glycine in the Gas Phase: A Theoretical Study Sophie Hoyau and Gilles Ohanessian* Abstract: The complexes formed by …