Results 81 to 90 of about 13,866 (113)

Enforcing the Canadian Prohibition of Overcrowding Livestock in Transit Without Resorting to Science. [PDF]

Animals (Basel)
Whiting TL.
europepmc   +1 more source

Research on a fuzzy programming model and algorithm for berth allocation considering time-varying water depth. [PDF]

Sci Rep
Liu D, Li B, Li M, Lei Y, Yu P, Tan C.
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Fast computation model for superconducting pinning Maglev mechanical system. [PDF]

Sci Rep
Wang L, Deng Z, Li Y, Cheng Y, Li H, Zhang W.   +5 more
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Insight into the structure of the heulandite-type zeolite containing aromatic compounds using periodic density functional theory

Materials Today Communications, 2021
Abstract The heulandite-type zeolite (HEU) is an important class of naturally occurring zeolite materials. The recent development of a synthetic HEU zeolite with a high Si/Al ratio opens new possibilities for various applications. Herein, a periodic density functional theory with dispersion correction scheme (DFT-D3) was performed on the HEU-type ...
Fajar I. Pambudi, Niko Prasetyo
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Density functional theory study on two D-π-A-type organic dyes containing different anchoring groups for dye-sensitized solar cells

Structural Chemistry, 2020
The electronic structure and absorption spectra of two D-π-A-type organic dyes with different anchoring groups have been investigated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The effect of anchoring groups on the electronic absorption of the free dyes on (TiO2)9 has been studied for the two carbazole ...
Shaaban A. Elroby, Abdesslem Jedidi
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Magnetic permeability disaccommodation in α-FeC type alloys containing s–i pairs. I. General Theory

Physica Status Solidi (a), 1981
An attempt is made to develop a theory of the phenomenon of magnetic permeability disaccommodation in alloys of α-iron containing migrating interstitial atoms (i atoms) as well as substitutional atoms (s atoms). The calculations are based on Neel's theory of migrational magnetic after-effects and also on Koiwa's theory of internal friction.
K. Kuśaaka, J. W. Moroń
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Density Functional Theory Study on D-π-A-type Organic Dyes Containing Different Electron-Donors for Dye-Sensitized Solar Cells

Bulletin of the Korean Chemical Society, 2013
College of Materials Science & Engineering, State Key Laboratory of New Textile Materials & Advanced Processing Technology, Wuhan Textile University, 430020, Wuhan, ChinaReceived March 29, 2013, Accepted August 1, 2013Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been employed toinvestigate the molecular structures ...
Jing Song, Jie Xu
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Density functional theory investigations of NiN2S2 reactivity as a function of nitrogen donor type and N–H···S hydrogen bonding inspired by nickel-containing superoxide dismutase

JBIC Journal of Biological Inorganic Chemistry, 2006
Density functional theory calculations on a series of six square-planar NiN2S2 complexes have been performed. The nitrogen donor type was varied from diamino in Ni(bme-dmed), 1, to amino-amido in [Ni(mama)]-, 2, to diamido in [Ni(ema)]2-, 3. The sulfur-oxygenated derivative Ni(bme-O2-dmed), 4, and hydrogen-bonded derivatives (5 and 6) of 2 and 3 were ...
C S, Mullins, C A, Grapperhaus, P M, Kozlowski   +2 more
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Jung's Theory of Psychological Types and the Self-Contained Patient

The Psychotherapy Patient, 1988
The relevance of Jung's theory of psychological types to the identification and psychotherapeutic treatment of patients seen as "self-contained" is discussed within the larger context of therapist biases which may promote misunderstanding, inaccurate diagnoses and unproductive therapeutic approaches when dealing with individuals with particular type ...
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Accurate treatment of van der Waals interactions using standard density functional theory methods with effective core-type potentials: Application to carbon-containing dimers

Chemical Physics Letters, 2008
Abstract Carbon atom-centered effective core-type potentials were developed to compensate for the incorrect long-range behaviour of density functionals and for limitations in basis set in treating van der Waals binding in dimers containing carbon atoms. Three method-specific potentials (PBE, PW91, B971) were designed. B971/6-311+G(2d,2p) was found to
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