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Publikováno v:
The Journal of chemical physics. 155(19)
A new time-domain simulation protocol of two-dimensional electronic spectra with photocurrent detection is presented. Time-dependent density functional theory for open systems at finite temperature is applied to evaluate the photocurrent response to
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
Autor:
A. Daniel McCartt, Jun Jiang
Publikováno v:
J Chem Phys
We report a proof-of-principle demonstration of intracavity pump–probe, cavity ringdown (CRD) detection in a three-mirror, traveling-wave cavity. With cavity-enhanced pump power and probe absorption path length, the technique is a generally applica
Autor:
Jasper J. van Thor, Giovanni Bressan
Publikováno v:
The Journal of chemical physics. 154(24)
Two-dimensional vibrational and electronic spectroscopic observables of isotropically oriented molecular samples in solution are sensitive to laser field intensities and polarization. The third-order response function formalism predicts a signal that
Autor:
Samuel A. Meek, Arthur Fast
Publikováno v:
The Journal of chemical physics. 154(11)
We report absolute transition frequencies for the allowed transitions from the X2Π3/2, [Formula: see text] = 0, J″ = 3/2 rovibronic ground state of 32S1H to the A2Σ+, [Formula: see text] = 0 vibronic state. The frequencies have been determined wi
Publikováno v:
The Journal of chemical physics. 153(4)
Stimulated electron energy loss and gain spectroscopy (sEELS and sEEGS) are used to image the nearfield of the bonding and antibonding localized surface plasmon resonance modes in nanorod dimers. A scanning transmission electron microscope equipped w
Publikováno v:
The Journal of chemical physics. 151(23)
Using ultrafast pump-probe reflectivity with 3.1 eV pump and coherent white light probe (1.1 to 2.6 eV), we show that graphene on gold nanostructures exhibits a strong coupling to the plasmonic resonances of the ordered lattice hole array, thus injec
Publikováno v:
The Journal of chemical physics. 151(23)
Balanced charge transport is particularly important for transistors. Hence, ambipolar organic semiconductors with comparable transport capabilities for both positive and negative charges are highly sought-after. Here, we report detailed insights into
Publikováno v:
The Journal of chemical physics. 151(16)
Silver-based heterogeneous catalysts, modified with a range of elements, have found industrial application in several reactions in which selectivity is a challenge. Alloying small amounts of Pt into Ag has the potential to greatly enhance the somewha
Autor:
Edward P. Saliba, Alexander B. Barnes
Publikováno v:
J Chem Phys
Simulations describing the spin physics underpinning nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) spectroscopy play an important role in the design of new experiments. When experiments are performed in the solid state, s