The procedure leading to the first HyDRA blind challenge for the prediction of water donor
stretching vibrations in monohydrates of organic molecules is described. A training set of 10 …

Large amplitude motions (LAMs), most notably represented by proton tunneling, mark a
significant departure from small amplitude vibrations where protons merely oscillate around …

Photochemical behaviors of pyruvic acid in multiple phases have been extensively studied,
while those of its conjugate base, the pyruvate anion (CH3COCOO–, PA–) are less …

The aqueous phase photochemistry of pyruvic acid, an important oxidation product of
isoprene, is known to generate larger oligomeric species that may contribute to the formation …

The substitution rs and semi-experimental equilibrium re SE structures of the two conformers
of 2-ethylfuran were obtained using a combination of microwave spectroscopy and quantum …

The conformer-specific reactivity of gas-phase pyruvic acid following the S1 (nπ*)← S0
excitation at λmax= 350 nm (290–380 nm) and the effect of water are investigated for the two …

Using two molecular jet Fourier transform spectrometers, the microwave spectrum of hexan‐
2‐one, also called methyl n‐butyl ketone, was recorded in the frequency range from 2 to 40 …

The molecular geometries of the possible conformations of pyruvic acid–water complexes
(PA-(H2O) n= 1–4) have been fully optimized at DFT/B3LYP/6-311G++ (d, p) levels of …

Pyruvic acid is abundant in the atmosphere and in seawater, being a decay product of living
organisms. Although very small in size (10 atoms), pyruvic acid exhibits conformational …

It is well known that atmospheric aerosol play important roles in the environment. However,
there is still much to learn about the processes that form aerosols, particularly aqueous …