Results 81 to 90 of about 177,680 (311)

H2 Production from Ammonia Borane: Integrating Experiments, Computational Fluid Dynamics, and Statistical Analysis for Predicting and Optimizing Process and Reactor Design

ChemCatChem, EarlyView.
Ammonia borane is considered a great hydrogen carrier, and when hydrolyzed, it can generate 3 moles of H2. This study highlights the combination of experimental and computational work, such as modeling and statistical analysis, that enables future experimentation by focusing on the parameter with the most profound effect on maximum H2 yield.
Panayiota Adamou, Eleana Harkou, Silvio Bellomi, Ilaria Barlocco, Dimitris Mintis, Antreas Afantitis, Juan J. Delgado, Xiaowei Chen, George Manos, Nikolaos Dimitratos, Alberto Villa, Achilleas Constantinou   +11 more
wiley   +1 more source

On a matrix with integer eigenvalues and its relation to conditional Poisson sampling [PDF]

, 2005
A special non-symmetric N × N matrix with eigenvalues 0, 1, 2, . . . ,N − 1 is presented. The matrix appears in sampling theory. Its right eigenvectors, if properly normalized, give the inclusion probabilities of the Conditional Poisson design (for ...
Bondesson, L., Traat, I.
core  

Understanding Small Molecule Activation Promoted by Heavier Benzene 1,4‐diides: Interplay Between Diradical Character and Aromaticity

Chemistry – A European Journal, EarlyView.
The intricate relationship between diradical character, aromaticity, and reactivity in annulated heavier Group 14 benzene‐1,4‐diides (see picture) has been investigated through Density Functional Theory and ab initio calculations. A direct correlation between reactivity and diradical character, both of which increase down Group 14, is found.
Daniel González‐Pinardo, Rajendra S. Ghadwal, Israel Fernández   +2 more
wiley   +1 more source

Algebraic Bethe ansatz for the Temperley–Lieb spin-1 chain

Nuclear Physics B, 2016
We use the algebraic Bethe ansatz to obtain the eigenvalues and eigenvectors of the spin-1 Temperley–Lieb open quantum chain with “free” boundary conditions.
Rafael I. Nepomechie, Rodrigo A. Pimenta
doaj   +1 more source

An integral method for solving nonlinear eigenvalue problems

, 2010
We propose a numerical method for computing all eigenvalues (and the corresponding eigenvectors) of a nonlinear holomorphic eigenvalue problem that lie within a given contour in the complex plane.
A. Jentzen, A. Jentzen, B. Øksendal, C.T.H. Baker, D.B. Hernández, D.J. Higham, D.J. Higham, E. Buckwar, E. Buckwar, E. Buckwar, E. Buckwar, E. Hairer, G.G. Dahlquist, G.N. Milstein, G.N. Milstein, H.J. Stetter, J.M.C. Clark, L. Arnold, M. Hutzenthaler, M. Wiktorsson, M.B. Giles, M.B. Giles, M.N. Spijker, P.D. Lax, P.E. Kloeden, P.E. Kloeden, R. Kruse, R. Winkler, R.D. Grigorieff, Raphael Kruse, T. Rydén, W.J. Beyn, X. Mao   +32 more
core   +1 more source

Instantaneous Normal Modes of Yukawa Liquids

Contributions to Plasma Physics, EarlyView.
ABSTRACT The instantaneous normal mode (INM) approach, which extends the normal mode description of collective excitations in solids to liquids, is applied to strongly coupled, three‐dimensional Yukawa liquids. Based on data from Langevin dynamics simulations, we compute the instantaneous normal modes across a wide range of coupling and screening ...
Tillman Keller, Hanno Kählert
wiley   +1 more source

Fine‐Tuning Gramicidin S: How δ‐Phenylproline Affects Turns and Interaction with Membrane

European Journal of Organic Chemistry, EarlyView.
Introducing a phenyl group at the 5‐cis position of proline in gramicidin S markedly alters its conformation. This substitution induces a double γ‐turn that disrupts the native β‐sheet and hinders membrane insertion. The incorporation of a phenyl ring at the 5‐position of proline markedly influences the conformation and membrane interactions of ...
Irene Sánchez‐Burillo, Ana I. Jiménez, Tomás Tejero, Pedro Merino   +3 more
wiley   +1 more source

Considering spatiotemporal evolutionary information in dynamic multi‐objective optimisation

CAAI Transactions on Intelligence Technology, EarlyView., 2023
Abstract Preserving population diversity and providing knowledge, which are two core tasks in the dynamic multi‐objective optimisation (DMO), are challenging since the sampling space is time‐ and space‐varying. Therefore, the spatiotemporal property of evolutionary information needs to be considered in the DMO.
Qinqin Fan, Min Jiang, Wentao Huang, Qingchao Jiang   +3 more
wiley   +1 more source

Generalization of the Analytical Exponential Model for Homogeneous Reactor Kinetics Equations

Journal of Applied Mathematics, 2012
Mathematical form for two energy groups of three-dimensional homogeneous reactor kinetics equations and average one group of the precursor concentration of delayed neutrons is presented.
Abdallah A. Nahla, Mohammed F. Al-Ghamdi
doaj   +1 more source

Eigenvalue Problems for Fredholm Operators with Set-Valued Perturbations

Advanced Nonlinear Studies, 2020
By means of a suitable degree theory, we prove persistence of eigenvalues and eigenvectors for set-valued perturbations of a Fredholm linear operator.
Benevieri Pierluigi, Iannizzotto Antonio
doaj   +1 more source