Results 81 to 90 of about 8,667,788 (154)

Gibbs sampling will fail in outlier problems with strong masking [PDF]

, 1995
This paper discusses the convergence of the Gibbs sampling algorithm when it is applied to the problem of outlier detection in regression models. Given any vector of initial conditions, theoretically, the algorithm converges to the true posterior ...
Justel, Ana, Peña, Daniel, Daniel Peña, Ana Juste   +3 more
core   +1 more source

Prediction of Sm- (Co, Cu, Fe, Zr) binary alloys’ thermodynamic parameters by improved miedema model

Materials Research Express
Currently, the original Miedema mixing enthalpy model yields calculation results that exhibit some discrepancies when compared to experimental data.
Zhi Zhu, Yikun Fang, Wei Wu, Bo Zhao, Jiashuo Zhang, Ming Lei   +5 more
doaj   +1 more source

Electronic origins of the stereochemistry in β-lactam formed through the Staudinger reaction catalyzed by a nucleophile. [PDF]

RSC Adv, 2023
Pahlavan F, Moosavi SS, Zolghadr AR, Iranpoor N.   +3 more
europepmc   +1 more source

Numerical analysis of a coupled pair of Cahn-Hilliard equations with non-smooth free energy [PDF]

, 2007
A mathematical analysis has been carried out for a coupled pair of Cahn-Hilliard equations with a double well potential function with infinite walled free energy, which appears in modelling a phase separation on a thin film of binary liquid mixture ...
Sripirom, Pisuttawan
core  

Hysteresis and thermodynamic properties of water sorption in ‘Malagueta’ pepper seeds

Revista Brasileira de Engenharia Agrícola e Ambiental
The objective of this study was to determine hysteresis, enthalpy, entropy, enthalpy-entropy compensation theory and Gibbs free energy for water adsorption and desorption in ‘Malagueta’ pepper seeds.
Hellismar W. da Silva, Renato S. Rodovalho, Isneider L. Silva   +2 more
doaj   +1 more source

New insights into the mechanism of synergetic photoredox/copper(i)-catalyzed carbocyanation of 1,3-dienes: a DFT study. [PDF]

Chem Sci, 2023
Liu Y, Feng A, Zhu R, Zhang D.
europepmc   +1 more source

We are the Gumnut Corps, we're going to the war [picture] /

, 1916
Part of collection: Eight World War 1914-1918 postcards.; Title from inscriptions.; Inscriptions: "We are the Gumnut Corps, We're going to the War (We'll make things hum, by gum!)"--Lower right of image; "May Gibbs"--Lower right; "Copyright"--Lower left ...
Gibbs, May, 1877-1969.
core  

Has the human biological interaction with SARS‐CoV2 variants entered a pliant “Faustian bargain”?

Pharmacology Research & Perspectives
We hypothesize that a “Faustian bargain”—the trading of increased SARS—CoV2 viral infection with a concurrent potential for prevention of life‐threatening lower lung infection explains the previous and future morbidity and mortality from COVID‐19 ...
Richard J. Head, Marko Popovic, Jennifer H. Martin   +2 more
doaj   +1 more source

Evaluating Theoretical Solvent Models for Thermodynamic and Structural Descriptions of Dacarbazine–Cyclodextrin Complexes. The Theoretical and Conductometric Study

Molecules
In this study, the influence of various implicit solvent models on the structural and thermodynamic properties of dacarbazine complexes with three cyclodextrins—α-CD, HP-β-CD, and HE-β-CD—was evaluated.
Zdzisław Kinart, Marta Hoelm, Martyna Imińska   +2 more
doaj   +1 more source

The stoichiometry, electronic energy, enthalpy, Gibbs free energy (in Hartree), and dipole moment (Debye) of donepezil and its designed analogues.

, 2019
The stoichiometry, electronic energy, enthalpy, Gibbs free energy (in Hartree), and dipole moment (Debye) of donepezil and its designed analogues.
Nazrul Islam (366225), Mohammad A. Halim (6383612), Md. Kamal Hossain (6383606), Md. Junaid (6383603), M. Obayed Ullah (6383609)   +4 more
core   +1 more source