skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

Explore Research Products in the PAR
It may take a few hours for recently added research products to appear in PAR search results.


  • Home
  • Search Results
  • Page 1 of 1

Search for: All records

Creators/Authors contains: "Gonzalez, Myla G"

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. ; ; ; ; ; ; (, Journal of Molecular Spectroscopy)
    Full Text Available 
  2. ; ; ; (, Journal of Molecular Spectroscopy)
    Heaven, Michael (Ed.)
    The microwave spectra for a hydrogen-bonded trans-2 glyoxylic acid–water complex were measured in the 6–16 GHz frequency range using two Flygare-Balle type pulsed beam Fourier transform microwave (FTMW) spectrometers. The rotational constants for the dimer were determined to have the following values: A = 9384.2354(31), B = 1707.63973(73), and C = 1447.44879(56) MHz. The hydrogen bonded structures and rotational constants were calculated for the lowest energy dimglyoxylic acid - water using DFT, MP2 and CCSD calculations with various basis sets. The B3LYP/aug-cc-PVQZ-DG3 calculations yielded rotational constants of A = 9393.59, B = 1713.76, and C = 1453.23 MHz, in very good agreement with experimental values. The calculations show two feasible tunneling motions involving hydrogen atoms in this complex. 
    more » « less
    Full Text Available