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Toplam kayıt 72, listelenen: 11-20
Peripheral and Structural Effects on the Band Gap of Acceptor-Donor Type Conducting Polymers Containing Pendant Bisfulleroid Groups
(Amer Chemical Soc, 2011)
In this computational study, the band gap energy of an acceptor donor type conducting polymer consisting of terthiophene repeating units with a fused bisfulleroid group was estimated by extrapolating excitation energies ...
Computational Insight into the Explosive Detection Mechanisms in Silafluorene- and Silole-Containing Photoluminescent Polymers
(Amer Chemical Soc, 2014)
Poly(silafluorene-phenylenedivinylene)s and poly((tetraphenyl)-silole-phenylenedivinylene)s are promising materials for use in explosives detection. Monomers and dimers of silafluorene- and silole-containing polymers for ...
Assessment of the maritime labour convention compliance using balanced scorecard and analytic hierarchy process approach
(Routledge Journals, Taylor & Francis Ltd, 2015)
Maritime labour convention (MLC), adopted by International Labour Organization in 2006, is one of the latest contemporary issues in the maritime industry. Since the convention entered into force after August 2013, maritime ...
Detection of Nitroaromatic Explosives Based on Fluorescence Quenching of Silafluorene- and Silole-Containing Polymers: A Time-Dependent Density Functional Theory Study
(Amer Chemical Soc, 2014)
Poly(silafluorene-phenylenedivinylene)s and poly((tetraphenyl)-silole- phenylenedivinylene)s are promising materials to be used as chemical sensors for explosives detection. The optoelectronic properties of these polymers ...
Static and dynamic structure of monomers, dimers and trimers of HgCl2 from density-functional calculations
(Springer, 2012)
We report relativistic density-functional calculations for the equilibrium structures and the vibrational frequencies of the (HgCl2)(n) molecules with n = 1 to 3, as part of a broad exploration of the potential energy ...
Chemical Reactivity Perspective into the Group 2B Metals Halides
(Amer Chemical Soc, 2016)
Chemical reactivity descriptors within the conceptual density functional theory can be used to understand the nature of the interactions between two monomers of the Group 2B metal halides. This information might be valuable ...
Energetic and Exergetic Performance Assessment of a Marine Engine with Measurement of CO2 Emission
(Springer International Publishing Ag, 2018)
[No Abstract Available]
High-resolution birefringence investigation of octylcyanobiphenyl (8CB): An upper bound on the discontinuity at the smectic-A to nematic phase transition
(Amer Physical Soc, 2013)
We report optical birefringence data by two different methods with high temperature resolution for octylcyanobiphenyl (8CB) near the smectic-A to nematic (Sm-A-N) phase transition temperature T-AN. Within the resolution ...
Growth and shape stability of Cu-Ni core-shell nanoparticles: an atomistic perspective
(Royal Soc Chemistry, 2018)
The growth and shape stability of bi-metallic cubic Cu-Ni nanoparticles are studied using atomic-level simulations. Cubic nano-crystals coated with an ultra-thin Cu layer can be readily obtained when Ni cubic nanoparticles ...
Investigation of Wave Characteristics in Oscillatory Motion of Partially Filled Rectangular Tanks
(Asme, 2018)
Simulations of oscillatory motion in partially filled rectangular tanks with different tank geometries, fullness ratios, and motion frequencies are presented. Smoothed particle hydrodynamics (SPH) method is used to discretize ...