Search results for "RET"

Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism.

2018

Vibrational circular dichroism (VCD) is a spectroscopic technique used to resolve the absolute configuration of chiral systems. Obtaining a theoretical VCD spectrum requires computing atomic polar and axial tensors on top of the computationally demanding construction of the force constant matrix. In this study we evaluated a VCD model in which all necessary quantities are obtained with density functional based tight binding (DFTB) theory. The analyzed DFTB parametrizations fail at providing accurate vibrational frequencies and electric dipole gradients but yield reasonable normal modes at a fraction of the computational cost of density functional theory (DFT). Thus, by applying DFTB in comp…

Energy transfer in LH2 of Rhodospirillum Molischianum, studied by subpicosecond spectroscopy and configuration interaction exciton calculations.

2001

Two color transient absorption measurements were performed on a LH2 complex from Rhodospirillum molischianum by using several excitation wavelengths (790, 800, 810, and 830 nm) and probing in the spectral region from 790 to 870 nm at room temperature. The observed energy transfer time of ∼1.0 ps from B800 to B850 at room temperature is longer than the corresponding rates in Rhodopseudomonas acidophila and Rhodobacter sphaeroides. We observed variations (0.9-1.2 ps) of B800-850 energy transfer times at different B800 excitation wavelengths, the fastest time (0.9 ps) was obtained with 800 nm excitation. At 830 nm excitation the energy transfer to the B850 ring takes place within 0.5 ps. The m…

Injection and ultrafast regeneration in dye-sensitized solar cells

2014

Injection of an electron from the excited dye molecule to the semiconductor is the initial charge separation step in dye-sensitized solar cells (DSC's). Though the dynamics of the forward injection process has been widely studied, the results reported so far are controversial, especially for complete DSC's. In this work, the electron injection in titanium dioxide (TiO2) films sensitized with ruthenium bipyridyl dyes N3 and N719 was studied both in neat solvent and in a typical iodide/triiodide (I-/I3 -) DSC electrolyte. Transient absorption (TA) spectroscopy was used to monitor both the formation of the oxidized dye and the arrival of injected electrons to the conduction band of TiO2. Emiss…

Common fixed points of g-quasicontractions and related mappings in 0-complete partial metric spaces

2012

Abstract Common fixed point results are obtained in 0-complete partial metric spaces under various contractive conditions, including g-quasicontractions and mappings with a contractive iterate. In this way, several results obtained recently are generalized. Examples are provided when these results can be applied and neither corresponding metric results nor the results with the standard completeness assumption of the underlying partial metric space can. MSC:47H10, 54H25.

On two classes of finite supersoluble groups

2017

ABSTRACTLet ℨ be a complete set of Sylow subgroups of a finite group G, that is, a set composed of a Sylow p-subgroup of G for each p dividing the order of G. A subgroup H of G is called ℨ-S-semipermutable if H permutes with every Sylow p-subgroup of G in ℨ for all p∉π(H); H is said to be ℨ-S-seminormal if it is normalized by every Sylow p-subgroup of G in ℨ for all p∉π(H). The main aim of this paper is to characterize the ℨ-MS-groups, or groups G in which the maximal subgroups of every Sylow subgroup in ℨ are ℨ-S-semipermutable in G and the ℨ-MSN-groups, or groups in which the maximal subgroups of every Sylow subgroup in ℨ are ℨ-S-seminormal in G.

A comprehensive probabilistic analysis of approximate SIR‐type epidemiological models via full randomized discrete‐time Markov chain formulation with…

2020

Spanish Ministerio de Economia y Competitividad, Grant/Award Number: MTM2017-89664-P; Generalitat Valenciana, Grant/Award Number: APOSTD/2019/128; Ministerio de Economia y Competitividad, Grant/Award Number: MTM2017-89664-P

Existence of fixed point for GP(Λ;Θ)-contractive mappings in GP-metric spaces

2017

We combine some classes of functions with a notion of hybrid $GP_{(\Lambda,\Theta )}$ - $H$ - $F$ - contractive mapping for establishing some  fixed point results in the setting of $GP$-metric spaces. An illustrative example  supports the new theory.

ORBITALLY NONEXPANSIVE MAPPINGS

2015

We define a class of nonlinear mappings which is properly larger than the class of nonexpansive mappings. We also give a fixed point theorem for this new class of mappings.

Abstracts from the CECAM workshop on computer simulations of cellular automata

1989

Efficient generation of restricted growth words

2013

A length n restricted growth word is a word w=w"1w"2...w"n over the set of integers where w"1=0 and each w"i, i>1, lies between 0 and the value of a word statistics of the prefix w"1w"2...w"i"-"1 of w, plus one. Restricted growth words simultaneously generalize combinatorial objects as restricted growth functions, staircase words and ascent or binary sequences. Here we give a generic generating algorithm for restricted growth words. It produces a Gray code and runs in constant average time provided that the corresponding statistics has some local properties.