Ab initio investigation of the conformational energies, rotational barriers, molecular structures, vibrational frequencies, and dipole moments of aldehydes and ketones
- R.J. Berry
- R.J. Waltman
- et al.
- 1995
- Journal of Physical Chemistry
Paper
Publications
220 results at Journal of Physical Chemistry
Vibrational spectra of diamond C〈111〉-(2×1) exposed to hydrogen and methane. Comparison of theory and experiment
- J. Pacansky
- R.J. Waltman
- 1995
- Journal of Physical Chemistry
PaperAb initio molecular dynamics simulation of the solvation and transport of H3O+ and OH- ions in water
- Mark Tuckerman
- Kari Laasonen
- et al.
- 1995
- Journal of Physical Chemistry
PaperNeutron reflectivity and structure of polyether dendrimers as langmuir films
- P.M. Saville
- P.A. Reynolds
- et al.
- 1995
- Journal of Physical Chemistry
PaperMolecular hyperpolarizabilities of coumarin dyes
- Christopher R. Moylan
- 1994
- Journal of Physical Chemistry
PaperCrossed beam rovibrational energy transfer from st glyoxal. 2. uniform scattering characteristics from the initial levels 00, 51, and 81
- Brian D. Gilbert
- Charles S. Parmenter
- et al.
- 1994
- Journal of Physical Chemistry
PaperOptical probing of single molecules of terrylene in a Shpol'skii matrix: A two-state single-molecule switch
- W.E. Moerner
- Taras Plakhotnik
- et al.
- 1994
- Journal of Physical Chemistry
PaperTime-resolved infrared absorption spectroscopy of 193-nm photodissociation of diethylzinc
- Paul F. Seidler
- 1994
- Journal of Physical Chemistry
PaperAliphatic ketone anion-radicals: A matrix isolation ESR study
- Ralf Koppe
- Paul H. Kasai
- 1994
- Journal of Physical Chemistry
Paper13C dipolar NMR study of benzene chemisorbed on high-surface alumina-supported platinum
- M. Engelsberg
- C.S. Yannoni
- et al.
- 1994
- Journal of Physical Chemistry
Paper