Structure, Binding Energies, and IR-Spectral Fingerprinting of Formic Acid Dimers
Author:
Affiliation:
1. Physics Department, Marmara University, Göztepe Kampus, Kadiköy 34772, Istanbul, Turkey
2. Chemistry Department, The University of Virginia, Charlottesville, Virginia 22904
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct700161a
Reference28 articles.
1. Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
2. Effects of basis set and electron correlation on the calculated interaction energies of hydrogen bonding complexes: MP2/cc-pV5Z calculations of H2O–MeOH, H2O–Me2O, H2O–H2CO, MeOH–MeOH, and HCOOH–HCOOH complexes
3. The formic acid dimer (HCOOH)2 probed by time-resolved structure selective spectroscopy
4. Concerted Hydrogen Exchange Tunneling in Formic Acid Dimer
5. Vibrational dynamics of carboxylic acid dimers in gas and dilute solution
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