Density Functional Theory Calculations on Hydrogen-Bonded Tropolone−(H2O)2Clusters
- 24 September 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 102 (42) , 8174-8181
- https://doi.org/10.1021/jp981900t
Abstract
No abstract availableKeywords
This publication has 40 references indexed in Scilit:
- Study of the methanol trimer potential energy surfaceThe Journal of Chemical Physics, 1997
- Theoretical study of hydrogen bonding and proton transfer in the ground and lowest excited singlet states of tropoloneThe Journal of Chemical Physics, 1994
- Ã 1B2–X̃ 1A1 26v transitions of 18O-enriched tropoloneThe Journal of Chemical Physics, 1990
- Heavy atoms and tunneling in the X̃ state of tropoloneThe Journal of Chemical Physics, 1990
- Electronic spectra of jet-cooled tropolone. Effect of the vibrational excitation on the proton tunneling dynamicsThe Journal of Chemical Physics, 1990
- Laser fluorescence excitation spectrum of jet-cooled tropolone: The à 1B2–X̃ 1A1 systemThe Journal of Chemical Physics, 1988
- Quantitative infrared-spectroscopic investigations of hydrogen-bond cooperativityThe Journal of Physical Chemistry, 1987
- Electronic spectra of tropolone in a supersonic free jet. Proton tunneling in the S1 stateThe Journal of Physical Chemistry, 1983
- Proton tunneling dynamics and an isotopically dependent equilibrium geometry in the lowest excited π–π* singlet state of tropoloneThe Journal of Chemical Physics, 1980
- Studies in nuclear magnetic resonance spectroscopy. 17. Deuteron quadrupole coupling constants in intramolecularly hydrogen bonded systemsJournal of the American Chemical Society, 1980