نتایج جستجو برای: molecular configuration

تعداد نتایج: 756516  

The solar photovoltaic (PV) systems are facing serious problems due to unavoidable losses in their system, leads to more devation of output power from the input power level. This effect is known as a mismatch effect and is available in PV systems. Many losses are encountered in PV system and it is difficult to minimize such losses. In this paper, the influence of thermal effect on the solar PV ...

Hassan Moradi CheshmehBeigi

This paper deals with electromagnetic design and 2-D (two-dimensional) magnetic field analysis of novel low force ripple linear switched reluctance (LSR) motor. The configuration that has been presented here has a higher number of rotor poles than stator poles, and the purpose of this configuration is to improve the force ripple, which is the weak point of LSRMs. In order to illustrate the ...

Journal: :Physical review. A, Atomic, molecular, and optical physics 1992
Crawford Allender Doane

The measurement of the saddle-splay surface elastic constant K~4 in a nernatic liquid crystal is reported based on two independent deuterium nuclear-magnetic-resonance (H-NMR) experiments. Fifty years after the pioneering work of Oseen and Zocher, these measurements were made from observations of nematic director-field configurations and a configuration transition discovered in submicrometer-si...

The present research reviews two basic approaches for the separation circuit configuration analysis. The first approach is to optimize the circuit configuration. In this method, after a circuit modeling, a variety of search algorithms and mathematical optimization methods are used. Previous works show that this approach has more application in the flotation process. The second approach called t...

2016
Nassima Bouguerra Aleš Růžička Christoph Ulbricht Christina Enengl Sandra Enengl Veronika Pokorná Drahomír Výprachtický Elisa Tordin Razika Aitout Věra Cimrová Daniel Ayuk Mbi Egbe

The synthesis and characterization of a set of conjugated polymers, poly(1,4-phenylene-ethynylene)-alt-poly(1,4-phenylene-vinylene)s (PPE-PPVs), with a dissymmetrical configuration (partial or total) of alkoxy side chains is reported. Five new polymers bearing octyloxy and/or octadecyloxy side chains at the phenylene-ethynylene and phenylene-vinylene segments, respectively, were obtained. Two s...

Journal: :Journal of the American Chemical Society 2004
San-Huang Ke Harold U Baranger Weitao Yang

Combining density functional theory calculations for molecular electronic structure with a Green function method for electron transport, we calculate from first principles the molecular conductance of benzene connected to two Au leads through different anchoring atoms-S, Se, and Te. The relaxed atomic structure of the contact, different lead orientations, and different adsorption sites are full...

2013
Ting Wang Marc T. Facciotti Yong Duan

In bacteriorhodopsin, the order of molecular events that control the cytoplasmic or extracellular accessibility of the Schiff bases (SB) are not well understood. We use molecular dynamics simulations to study a process involved in the second accessibility switch of SB that occurs after its reprotonation in the N intermediate of the photocycle. We find that once protonated, the SB C15 = NZ bond ...

1998
S. Kotochigova I. Tupitsyn

Molecular constants have been computed for the ground states 2∏ of 17OH and 1Σ of 107AgH+. The valence-bond method and advanced computational technique were used to perform all-electron ab initio calculation of molecular electronic structures. The basic idea behind the model is to introduce the molecular wave functions in terms of Hartree-Fock many-electron atomic determinants. Full configurati...

Journal: :Physical review letters 2006
Maurice de Koning Alex Antonelli Antonio J R da Silva A Fazzio

We present a first-principles study of the molecular vacancy and three distinct molecular interstitial structures in ice Ih. The results indicate that, due to its bonding to the surrounding hydrogen-bond network, the bond-center (Bc) configuration is the favored molecular interstitial in ice Ih. A comparison between the vacancy and the Bc interstitial suggests that the former is the predominant...

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