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Publikováno v:
The Journal of chemical physics. 155(22)
Combining differential scanning calorimetry, nuclear magnetic resonance, and broadband dielectric spectroscopy studies, we ascertain the glass transition of aqueous ethylene glycol (EG) solutions, in particular, the effects of partial crystallization
Publikováno v:
The Journal of chemical physics. 155(13)
The protonated HCl dimer and trimer complexes were prepared by pulsed discharges in supersonic expansions of helium or argon doped with HCl and hydrogen. The ions were mass selected in a reflectron time-of-flight spectrometer and investigated with ph
Publikováno v:
The Journal of chemical physics. 153(5)
Electron transfer (ET) at an electrode-electrolyte interface is a crucial step in electrochemical reactions. Computational simulations play an important role in unraveling the effects of the interfacial structure of the electrolyte solution and the a
Publikováno v:
The Journal of chemical physics. 152(23)
The hydrogen-bonding networks of water have strong intra- and intermolecular vibrational coupling which influences the energy dissipation and proton transfer in water. Disentangling and quantitative characterization of different coupling effects in w
Autor:
Frank C. Spano
Publikováno v:
The Journal of chemical physics. 152(20)
Polaritons in an ensemble of permutationally symmetric chromophores confined to an optical microcavity are investigated numerically. The analysis is based on the Holstein–Tavis–Cummings Hamiltonian which accounts for the coupling between an elect
Publikováno v:
The Journal of chemical physics. 152(12)
Single layer graphene was used to determine the electrochemical potential of plasmonic nano-structures for photoelectrochemical energy conversions. From electrochemical Raman measurements of the graphene layer under near-infrared light, illumination
Publikováno v:
The Journal of chemical physics. 151(15)
Generation of electron spin polarization (ESP) during the bimolecular quenching of an excited chromophore by a free radical is generally explained by the radical-triplet pair mechanism, which is capable of giving the magnitudes of ESP arising from th
Autor:
Pantelis Bampoulis
Publikováno v:
The Journal of chemical physics, 154(13):134705. American Institute of Physics
Water trapped between MoS2 and graphene assumes a form of ice composed of two planar hexagonal layers with a non-tetrahedral geometry. Additional water does not wet these ice layers but forms three-dimensional droplets. Here, we have investigated the
Publikováno v:
The Journal of Chemical Physics. 154:124308
Nonadiabatic coupling is absent between the electronic ground X and first excited (singlet) A states of formaldehyde. As laser fields can induce conical intersections between these two electronic states, formaldehyde is particularly suitable for inve
Publikováno v:
The Journal of Chemical Physics. 154:104705
In this article, a systematic examination of the electronic and optical properties of partially fluorinated graphene is presented. In order to capture a large variety of fluorination degrees and configurations, different sizes of the supercell combin