نتایج جستجو برای: oscillator electronic

تعداد نتایج: 254164  

Journal: :The Journal of chemical physics 2015
F Ferreira da Silva E Lange P Limão-Vieira N C Jones S V Hoffmann M-J Hubin-Franskin J Delwiche M J Brunger R F C Neves M C A Lopes E M de Oliveira R F da Costa M T do N Varella M H F Bettega F Blanco G García M A P Lima D B Jones

The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5-10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections...

Journal: :Physical chemistry chemical physics : PCCP 2016
Sebastian Fernandez-Alberti Dmitry V Makhov Sergei Tretiak Dmitrii V Shalashilin

Photoinduced dynamics of electronic and vibrational unidirectional energy transfer between meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a multiconfigurational Ehrenfest in time-dependent diabatic basis (MCE-TDDB) method, a new variant of the MCE approach developed by us for dynamics involving multiple electronic states with numerous abrupt crossings. Excite...

Journal: :Journal of the American Chemical Society 2005
Laura Gagliardi Michael C Heaven Jesper Wisborg Krogh Björn O Roos

The electronic spectrum of the UO(2) molecule has been determined using multiconfigurational wave functions together with the inclusion spin-orbit coupling. The molecule has been found to have a (5fphi)(7s), (3)Phi(2u), ground state. The lowest state of gerade symmetry,( 3)H(4g), corresponding to the electronic configuration (5f)(2) was found 3330 cm(-1) above the ground state. The computed ene...

Journal: :Proceedings of the National Academy of Sciences of the United States of America 2002
Mila Boncheva David H Gracias Heiko O Jacobs George M Whitesides

This paper introduces a biomimetic strategy for the fabrication of asymmetrical, three-dimensional electronic devices modeled on the folding of a chain of polypeptide structural motifs into a globular protein. Millimeter-size polyhedra-patterned with logic devices, wires, and solder dots-were connected in a linear string by using flexible wire. On self-assembly, the string folded spontaneously ...

2017
Lars Keuninckx Miguel C. Soriano Ingo Fischer Claudio R. Mirasso Romain M. Nguimdo Guy Van der Sande

We present a novel encryption scheme, wherein an encryption key is generated by two distant complex nonlinear units, forced into synchronization by a chaotic driver. The concept is sufficiently generic to be implemented on either photonic, optoelectronic or electronic platforms. The method for generating the key bitstream from the chaotic signals is reconfigurable. Although derived from a deter...

خدادوستان, نوشین, شهبازی, فرهاد, ملکوتی‌خواه, طاهره,

In this work, we study the Kuramoto model on scale-free, random and small-world networks with bimodal intrinsic frequency distributions. We consider two models: in one of them, the coupling constant of the ith oscillator is independent of the number of oscillators with which the oscillator interacts, and in the other one the coupling constant is renormalized with the number of oscillators with ...

احمد کیاستپور, , محمدحسین نادری, , محمود سلطان الکتابی, ,

  Single-valence electron atoms are an important class of atoms. Their oscillator strengths are their important properties. Knowing the oscillator strengths one can easity calculate the transition probabilities of the spectral lines and hence the lifetimes of energy levels of most atoms. The oscillator strengths of the spectral lines of most atoms are not knoen with sufficient accuracy due to t...

ABSTRACT The application of many hetero-aromatic compounds in pharmaceutical and dye industries make the theoretical study of their dipole moment (µ) oscillator strength (f) and other photo-physical properties worthwhile. These properties determine the solubility of many compounds; predict the relationship between their structures, properties and performance. The f, µ, α, transition dipole mome...

2017
Yuriy Hizhnyi Sergii Nedilko Viktor Borysiuk Andrii Shyichuk

Density functional theory (DFT) computations of the electronic structures of undoped, B- and N-doped CNT(3,3), CNT(5,5) carbon nanotubes, and graphene with adsorbed chromate anions CrO42- were performed within molecular cluster approach. Relaxed geometries, binding energies, charge differences of the adsorbed CrO42- anions, and electronic wave function contour plots were calculated using B3LYP ...

2008
Y. S. Kim

String models are designed to provide a covariant description of internal space-time structure of relativistic particles. The string is a limiting case of a series of massive beads like a pearl necklace. In the limit of infinite-number of zero-mass beads, it becomes a field-theoretic string. Another interesting limit is to keep only two pearls by eliminating all others, resulting in a harmonic ...

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