Ab 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
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
End-group-dominated molecular order in self-assembled monolayers
- Heiko Wolf
- H. Ringsdorf
- et al.
- 1995
- Journal of Physical Chemistry
Simulations of thermal decomposition and film growth from the group VI metal hexacarbonyls
- F.A. Houle
- W.D. Hinsberg
- 1995
- Journal of Physical Chemistry
Conformational characteristics of poly(oxymethylene) based upon ab initio electronic structure calculations on model molecules
- Grant D. Smith
- Richard L. Jaffe
- et al.
- 1994
- Journal of Physical Chemistry
Structures and infrared spectra of perfluoroaldehyde and perfluoroacetaldehyde
- J. Pacansky
- R.J. Waltman
- et al.
- 1994
- Journal of Physical Chemistry
Conformational characteristics of dimethoxymethane based upon ab initio electronic structure calculations
- Grant D. Smith
- Richard L. Jaffe
- et al.
- 1994
- Journal of Physical Chemistry
Glasses with strong calorimetric β-glass transitions and the relation to the protein glass transition problem
- J. Fan
- E.I. Cooper
- et al.
- 1994
- Journal of Physical Chemistry
Molecular hyperpolarizabilities of coumarin dyes
- Christopher R. Moylan
- 1994
- Journal of Physical Chemistry
Adsorption of perfluoroalkanes on Pt(111): Thermal desorption and infrared reflection-absorption spectroscopic results
- William G. Golden
- Heinrich Hunziker
- et al.
- 1994
- Journal of Physical Chemistry