Modelling the physical properties of environmentally friendly optical magnetic switches: DFT and TD-DFT

2022 ◽  
pp. 355-384
Author(s):  
Latévi M. Lawson Daku ◽  
Mark E. Casida
Keyword(s):  
Physical Properties ◽  
Environmentally Friendly ◽  
Td Dft

Hydrophilicity Impact upon Physical Properties of the Environmentally Friendly Poly(3-hydroxybutyrate) Blends: Modification Via Blending

2006 ◽  
Vol 233 (1) ◽  
pp. 108-116 ◽  
Author(s):  
Alexey L. Iordanskii ◽  
Anatoliy A. Ol'khov ◽  
Yulia N. Pankova ◽  
Anton P. Bonartsev ◽  
Garina A. Bonartseva ◽  
...  
Keyword(s):  
Physical Properties ◽  
Environmentally Friendly

scholarly journals Calculated Optimized Structure and Geometric Analysis of Oxygenated Fuel Additives: Alcohols and Ethers

2020 ◽  
Vol 10 (3) ◽  
pp. 5632-5636
Author(s):  
S. Gurkan Aydin ◽  
O. Polat ◽  
A. Ozgen ◽  
E. Turali
Keyword(s):  
Physical Properties ◽  
Renewable Resources ◽  
Octane Number ◽  
Geometric Analysis ◽  
Environmentally Friendly ◽  
Fuel Additives ◽  
Future Studies ◽  
Oxygenated Fuel ◽  
Oxygen Fuel

Oxygenated fuel additives are added to gasoline in order to reduce the gases released from vehicle engines, to increase the octane number, and to expand the use of renewable resources. In this study, molecular and geometric analysis of oxygenated fuel additives was conducted theoretically and the energy values of optimized structures were calculated. The effect of molecular energy and the bond structure between C, H and O on the chemical and physical properties of some oxygen fuel additives were investigated. The obtained results will form the basis for future studies in obtaining more environmentally friendly fuels.

scholarly journals Impact of environmentally friendly nanoparticles on physical properties of poly p-phenylenediamine

2020 ◽  
Vol 29 (2) ◽  
pp. 133-139 ◽  
Author(s):  
Dalia S. Fathy ◽  
N.A. Mansour ◽  
Maher A. El-Hashash ◽  
Azza M. Mazrouaa ◽  
Manal G. Mohamed
Keyword(s):  
Physical Properties ◽  
Environmentally Friendly

scholarly journals Looking for Links between Natural Fibres’ Structures and Their Physical Properties

2013 ◽  
Vol 2013 ◽  
pp. 1-10 ◽  
Author(s):  
Nicola M. Everitt ◽  
Nesma T. Aboulkhair ◽  
Mike J. Clifford
Keyword(s):  
Mechanical Properties ◽  
Physical Properties ◽  
Environmentally Friendly ◽  
Single Fibre ◽  
Natural Fibres ◽  
Large Variability ◽  
Industrial Sectors ◽  
Single Fibres ◽  
Composite Reinforcements

Natural fibres have excited growing attention in the last decade since they offer the potential to act as candidates substituting for man-made fibres as composite reinforcements. Their superiority over synthetic fibres is that they are environmentally friendly and biodegradable. Numerous industrial sectors are interested in such composites, including but to name a few the aeronautical and the automotive fields. However natural fibres tend to suffer from large variability in properties compared to the “traditional” man-made fibres, and the performance of their composites often does not conform to that theoretically predicted from single-fibre tests. This study investigates the properties of the single fibres. The mechanical properties of the fibres were correlated to their microstructure. There are factors that were found to contribute to the reported variability, some of which are inherent in the fibres and some are related to testing parameters.

Photo-physical Properties of N-methyl-3,4-fulleropyrrolidine and Its Derivatives: A DFT and TD-DFT Investigation

2012 ◽  
Vol 60 (3) ◽  
pp. 251-260 ◽  
Author(s):  
Chin-Kuen Tai ◽  
Wei-Yi Hsieh ◽  
Pao-Ling Yeh ◽  
Houn-Lin Chiu ◽  
Bo-Cheng Wang
Keyword(s):  
Physical Properties ◽  
Td Dft

scholarly journals Calcium Chloride Treated Highly Elastane Cotton Fabrics as Antibacterial, Comfortable and Environmentally Friendly Materials

Fibers ◽  
2021 ◽  
Vol 9 (11) ◽  
pp. 70
Author(s):  
Nilufer Yildiz Varan ◽  
Yavuz Caydamli
Keyword(s):  
Antibacterial Activity ◽  
Physical Properties ◽  
Calcium Chloride ◽  
Physical Performance ◽  
Environmentally Friendly ◽  
Cotton Fabrics ◽  
Attenuated Total Reflectance ◽  
Total Reflectance ◽  
Good Antibacterial Activity ◽  
Stiffness Handle

In the paper, the results of experiments on high elastane cotton crochet warp knitting fabrics treated with different calcium chloride solutions by the pad-dry-cure method have been reported. The tests for evaluating the antibacterial activity, thermophysiological comfort properties, physical performance of the samples were performed. In addition, the characterization analyses, including SEM, EDX, FTIR-attenuated total reflectance (ATR), and XRD, afforded indications of the good crosslinking of the CaCl2 onto the cotton/elastane samples. At a higher degree of activity, the calcium-chloride-treated fabrics were rated as having good antibacterial activity, being exceptionally breathable, and being comfortable with good physical properties such as stiffness, handle, and whiteness properties.

DFT and TD-DFT studies of electronic structures and one-electron excitation states of a cyanide-bridged molecular square complex

2015 ◽  
Vol 2 (8) ◽  
pp. 771-779 ◽  
Author(s):  
Yasutaka Kitagawa ◽  
Mizuki Asaoka ◽  
Koji Miyagi ◽  
Toru Matsui ◽  
Masayuki Nihei ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Physical Properties ◽  
Electronic Structures ◽  
Electron Excitation ◽  
Dft Studies ◽  
Td Dft ◽  
Molecular Square ◽  
Square Complex

The electronic structures and physical properties of [Co2Fe2(CN)6(tp*)2(dtbbpy)4](PF6)2·2MeOH are investigated by DFT and TD-DFT calculations.

The Photometric Properties of the Ap Stars

1976 ◽  
Vol 32 ◽  
pp. 365-377 ◽  
Author(s):  
B. Hauck
Keyword(s):  
Physical Properties ◽  
Ap Stars

The Ap stars are numerous - the photometric systems tool It would be very tedious to review in detail all that which is in the literature concerning the photometry of the Ap stars. In my opinion it is necessary to examine the problem of the photometric properties of the Ap stars by considering first of all the possibility of deriving some physical properties for the Ap stars, or of detecting new ones. My talk today is prepared in this spirit. The classification by means of photoelectric photometric systems is at the present time very well established for many systems, such as UBV, uvbyβ, Vilnius, Geneva and DDO systems. Details and methods of classification can be found in Golay (1974) or in the proceedings of the Albany Colloquium edited by Philip and Hayes (1975).

The Infection of Cells by Bullet-Shaped Viruses

1969 ◽  
Vol 27 ◽  
pp. 372-373
Author(s):  
Frederick A. Murphy ◽  
Alyne K. Harrison ◽  
Sylvia G. Whitfield
Keyword(s):  
Electron Microscopy ◽  
Physical Properties ◽  
Host Cell ◽  
Thin Section ◽  
Cultured Cells ◽  
Cell Infection ◽  
Thin Section Electron Microscopy ◽  
Section Electron ◽  
Section Electron Microscopy

The bullet-shaped viruses are currently classified together on the basis of similarities in virion morphology and physical properties. Biologically and ecologically the member viruses are extremely diverse. In searching for further bases for making comparisons of these agents, the nature of host cell infection, both in vivo and in cultured cells, has been explored by thin-section electron microscopy.

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