نتایج جستجو برای: electron affinity polarizability

تعداد نتایج: 393625  

Journal: :Molecules 2017
Chen Chen Nan Gong Zuowei Li Chenglin Sun Zhiwei Men

Absorption, fluorescence spectra of chlorophyll a (Chl-a) and all-trans-β-carotene (β-Car) mixing solution are investigated in different polarity and polarizability solvents. The carotenoids regulate the energy flow in photosynthesis by interaction with chlorophyll, leading to an observable reduction of Chl-a fluorescence. The fluorescence red shifts with the increasing solvent polarizability. ...

2009
Peter W. Milonni Karl Svozil

It is argued that the Scharnhorst effect cannot in principle give rise to measured signal velocities larger than that of light in vacuum. Scharnhorst [1] and subsequently Barton [2] (see also [3]) have shown that the refractive index of the vacuum between parallel plates can be less than unity for all frequencies ω < mc/h̄, where m is the electron mass [4]. This arises from the decreased polariz...

Journal: :BMC Chemical Biology 2005
Donard S Dwyer

BACKGROUND Electronic properties of amino acid side chains such as inductive and field effects have not been characterized in any detail. Quantum mechanics (QM) calculations and fundamental equations that account for substituent effects may provide insight into these important properties. PM3 analysis of electron distribution and polarizability was used to derive quantitative scales that descri...

Journal: :Journal of the American Chemical Society 2003
David W Small Dmitry V Matyushov Gregory A Voth

Molecular dynamics simulations are presented for condensed-phase electron transfer (ET) systems where the electronic polarizability of both the solvent and the solute is incorporated. The solute polarizability is allowed to change with electronic transition. The results display notable deviation from the standard free energy parabolas of traditional ET theories. A new three-parameter ET model i...

2017
I. Y. Dodin D. E. Ruiz

High-frequency photons travelling in plasma exhibit a linear polarizability that can influence the dispersion of linear plasma waves. We present a detailed calculation of this effect for Langmuir waves as a characteristic example. Two alternative formulations are given. In the first formulation, we calculate the modified dispersion of Langmuir waves by solving the governing equations for the el...

2013
Mateusz Jędrzejewski Piotr Ordon Ludwik Komorowski

The reaction force and the electronic flux, first proposed by Toro-Labbé et al. (J Phys Chem A 103:4398, 1999) have been expressed by the existing conceptual DFT apparatus. The critical points (extremes) of the chemical potential, global hardness and softness have been identified by means of the existing and computable energy derivatives: the Hellman-Feynman force, nuclear reactivity and nuclea...

Journal: :Physical Review A 2021

The electron affinity (EA) of the superheavy element Og is calculated by use relativistic Fock-space coupled cluster (FSCC) and configuration interaction methods. FSCC operator expansion includes single, double, triple excitations treated in a nonperturbative manner. Gaunt retardation electron-electron interactions are taken into account. Both methods yield results that agreement with each othe...

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