Molecular structure and vibrational IR spectrum of formamide revisited: ab initio post-Hartree—Fock study
- 1 August 1993
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 297, 277-284
- https://doi.org/10.1016/0022-2860(93)80183-v
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Ab initio Hartree—Fock and post-Hartree—Fock studies on molecular structures and vibrational spectra of formamide and formamidic acidJournal of Molecular Structure, 1992
- Ab initio quantum chemistry study of formamide-formamidic acid tautomerizationThe Journal of Physical Chemistry, 1991
- Ab initio investigation of vibrations in free and hydrogen bonded formamideJournal of Molecular Structure: THEOCHEM, 1991
- Ab initio studies of the ground-state potential energy surface of formamideJournal of Computational Chemistry, 1988
- Contributions from electron correlation to the relative stabilities of the tautomers of nucleic acid basesJournal of the American Chemical Society, 1988
- Ab initio calculations of the rotational barriers in formamide and acetamide: The effects of polarization functions and correlationJournal of Molecular Structure: THEOCHEM, 1986
- A comparative ab initio study of amidesJournal of Molecular Structure: THEOCHEM, 1985
- Ab initio calculation of amine out‐of‐plane anglesJournal of Computational Chemistry, 1985
- Tautomerization of formamide, 2-pyridone, and 4-pyridone: an ab initio studyJournal of the American Chemical Society, 1982
- A comparative ab initio study of the structures, dipole moments, force fields, and anharmonic frequencies of formamide and thioformamideJournal of Molecular Spectroscopy, 1981