A New Intermolecular Polarizable Potential for a Formaldehyde Dimer. Application to Liquid Simulations
- 1 December 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 102 (52) , 10818-10827
- https://doi.org/10.1021/jp982987l
Abstract
No abstract availableKeywords
This publication has 46 references indexed in Scilit:
- The hydrogen-bond C–H donor and π-acceptor characteristics of three-membered ringsActa crystallographica Section B, Structural science, crystal engineering and materials, 1996
- Carbonyl–water hydrogen bonding: The H2CO–H2O prototypeThe Journal of Chemical Physics, 1994
- Theoretical study of hydrogen-bonded formaldehyde-water complexesThe Journal of Physical Chemistry, 1993
- A NEW INTERMOLECULAR ENERGY CALCULATION SCHEME - APPLICATIONS TO POTENTIAL SURFACE AND LIQUID PROPERTIES OF WATERThe Journal of Physical Chemistry, 1990
- Basis set and correlation effects on computed hydrogen bond energies of the dimers (AHn)2: AHn=NH3, OH2, and FHThe Journal of Chemical Physics, 1987
- A theoretical study on the reactivity and spectra of H2CO and HCOH. A dimeric model for nonzero pressure formaldehyde photochemistryThe Journal of Chemical Physics, 1981
- Infrared spectrum of formaldehyde in solid nitrogen. II. Dimer spectrum and dimer structureThe Journal of Chemical Physics, 1980
- Characterization of molecular association in acetone vapor. Thermal conductivity measurements and molecular orbital calculationsThe Journal of Physical Chemistry, 1978
- Intermolecular interaction in formaldehyde dimersThe Journal of Chemical Physics, 1974
- Infrared and Raman spectra of formaldehyde in argon and nitrogen matricesSpectrochimica Acta Part A: Molecular Spectroscopy, 1973