Numerical Solution of Two-Point Static Problems for Distributed Extended Systems by Means of the Nelder–Mead Method
Sign Up to like & getrecommendations! Published in 2019 at "Cybernetics and Systems Analysis"
DOI: 10.1007/s10559-019-00170-3
Abstract: The authors describe a numerical algorithm for reducing two-point static problems of distributed extended systems in the field of body and surface forces to a nonlinear programming problem that can be solved by numerical methods.… read more here.
Keywords: static problems; problems distributed; point static; distributed extended ... See more keywords
Toward tailoring of robust organobases based on extended π-systems: A density functional theory study of the carbonyl basicity
Sign Up to like & getrecommendations! Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2019.112700
Abstract: Abstract The gas phase proton affinity (PA) and basicity (GB) of a series of extended π-systems, possessing carbonyl as the most basic sites, were calculated using the DFT-B3LYP theoretical method. The backbone of the polycyclic… read more here.
Keywords: organobases based; tailoring robust; extended systems; toward tailoring ... See more keywords
Finite Temperature Coupled Cluster Theories for Extended Systems.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00793
Abstract: At zero temperature, coupled cluster theories are widely used to predict total energies, ground state expectation values, and even excited states for molecules and extended systems. However, for systems with a small band gap, such… read more here.
Keywords: cluster theories; temperature; extended systems; coupled cluster ... See more keywords
On the Nature of σ–σ, σ–π, and π–π Stacking in Extended Systems
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DOI: 10.1021/acsomega.8b01339
Abstract: Stacking interactions have been evaluated, employing computational methods, in dimers formed by analogous aliphatic and aromatic species of increasing size. Changes in stability as the systems become larger are mostly controlled by the balance of… read more here.
Keywords: nature stacking; stacking extended; extended systems;
State space reconstruction of spatially extended systems and of time delayed systems from the time series of a scalar variable.
Sign Up to like & getrecommendations! Published in 2018 at "Chaos"
DOI: 10.1063/1.5023485
Abstract: The space-time representation of high-dimensional dynamical systems that have a well defined characteristic time scale has proven to be very useful to deepen the understanding of such systems and to uncover hidden features in their… read more here.
Keywords: spatially extended; space; extended systems; time delayed ... See more keywords
Extended T-systems, Q matrices and T-Q relations for $ \newcommand{\e}{{\rm e}} s\ell(2)$ models at roots of unity
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Physics A: Mathematical and Theoretical"
DOI: 10.1088/1751-8121/ab2490
Abstract: The mutually commuting 1 x n fused single and double-row transfer matrices of the critical six-vertex model are considered at roots of unity q = e(i lambda) with crossing parameter lambda = (p'-p)pi/p' a rational… read more here.
Keywords: extended systems; roots unity; systems matrices; transfer matrices ... See more keywords
Emergent spatiotemporal instabilities in reactive spatially extended systems by thermodiffusion.
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review E"
DOI: 10.1103/physreve.100.042217
Abstract: Thermodiffusion or thermophoresis or Soret effect, i.e., mass-transport induced by thermal gradient, has immense application in segregation of species in two or multicomponent gaseous, liquid, or colloidal mixtures. Here, we show that an external thermal… read more here.
Keywords: spatially extended; extended systems; thermodiffusion; spatiotemporal instabilities ... See more keywords
An Extended Systems Approach to Change in Labor Relations during the Emergence of a New Economy
Sign Up to like & getrecommendations! Published in 2020 at "Advances in Engineering Software"
DOI: 10.14428/aes.v8i1.56453
Abstract: Résumé : The emergence of a new pattern labor relations in a time of globalization and digitalization of an economy is a difficult and uncertain phenomenon, and therefore many researchers have expressed serious concern about… read more here.
Keywords: emergence new; labor; extended systems; new economy ... See more keywords