Results 131 to 140 of about 631,257 (354)

eChem: Accelerated Method Development in Quantum Chemistry with Notebooks

Chemistry–Methods, EarlyView.
The benefits of using Jupyter Notebooks to simplify and accelerate scientific code development are demonstrated using the practical example of the analytical molecular Hessian. The eChem project has been previously presented as an interactive platform for quantum and computational chemistry education [J. Chem. Educ. 100, 1664–1671].
Manuel Hodecker, Patrick Norman, Iulia Emilia Brumboiu   +2 more
wiley   +1 more source

On nonlocal bifurcations in two-parameter families of vector fields on the plane with involutive symmetry

Известия высших учебных заведений. Поволжский регион: Физико-математические науки
Background. The study of dynamical systems that are invariant with respect to different groups of transformations is important both for the theory of differential equations and for its applications. Local bifurcations in generic two-parameter families of
Vladimir Sh. Roitenberg
doaj   +1 more source

The Unprecedented Appearance of the Saddled-Prominent (Heterocampa Guttivitta) [PDF]

, 1910
E. F. Hitchings
openalex   +1 more source

Spontaneous Mirror‐Symmetry Breaking Destabilizes Racemates: A Route to Homochirality and Reversed Chemical Selectivity

ChemPhysChem, EarlyView.
Reaction networks yielding spontaneous mirror‐symmetry breaking (SMSB) are revisited. All include a first‐order enantioselective autocatalysis, which, on its own, is unable to lead to SMSB. The coupling with the so‐called ancillary reactions (racemization, mutual inhibition, etc.) makes the racemic state unstable.
Josep M. Ribó, Jean‐Claude Micheau, Thomas Buhse   +2 more
wiley   +1 more source

Solvent Effects on the Selectivity of Ambimodal Dipolar/Diels–Alder Cycloadditions: A Study Using Explicit Solvation Models

ChemPhysChem, EarlyView.
Post‐transition state bifurcation in the reaction of 2‐aminoacrolein with 1,3‐butadiene is investigated using explicit solvation (up to 45 water molecules). GFN2‐xTB dynamics reveal strong solvent‐size effects on branching to (4 + 2) and (4 + 3) cycloadducts via an ambimodal transition state.
Hayato Matsubuchi, Daiki Hayashi, Daichi Okamoto, Aoi Noguchi, Shoto Nakagawa, Toshiyuki Takayanagi, Tatsuhiro Murakami   +6 more
wiley   +1 more source

Variational construction of homoclinics and chaos in presence of a saddle-saddle equilibrium

, 1998
We consider autonomous Lagrangian systems with two degrees of freedom, having an hyperbolic equilibrium of saddle-saddle type (that is the eingenvalues of the linearized system about the equilibrium are $\pm λ_1, \pm λ_2 $, $λ_1, λ_2 > 0$). We assume that $λ_1 > λ_2$ and that the system possesses two homoclinic orbits.
Berti, M., Bolle, P.
openaire   +7 more sources

Quantifying landscape‐level biodiversity change in an island ecosystem: a 50‐year assessment of shifts in the Hawaiian avian community

Ecography, EarlyView.
Hawaii has experienced profound declines in native avifauna alongside the introduction of numerous bird species. While site‐specific population studies are common, landscape‐level analyses of avian population dynamics are rare, particularly in island ecosystems. To address this gap, we used a density surface model to create a spatio‐temporal projection
Trevor Bak, Lucas Berio Fortini, Noah Hunt, Paul Banko, Lena Schnell, Richard J. Camp   +5 more
wiley   +1 more source

Epidemiology, pathophysiology, diagnosis and management of atrial functional mitral regurgitation: An expert opinion paper

ESC Heart Failure, EarlyView.
The graphical abstract summarizes the key features of AFMR in terms of epidemiology, pathophysiology, diagnosis, medical therapy and rhythm control, surgical and transcatheter interventions, and future directions. Created in BioRender (https://BioRender.com/3zj03ko).
Matteo Pagnesi, Mauro Riccardi, Francesco Maisano, Julia Grapsa, Vassilis Barberis, Magdy Abdelhamid, Elena‐Laura Antohi, Henrike Arfsten, Nicole Karam, Denisa Muraru, Karl‐Philipp Rommel, Anna Sannino, Wilfried Mullens, Marianna Adamo, Marco Metra   +14 more
wiley   +1 more source

PSH‐YOLO: A Detection Method for Small‐Target Thermal Defects in Porcelain Insulators

Energy Science &Engineering, EarlyView.
It clearly presents the differences between You Only Look Once v8 (YOLOv8) and the improved Porcelain insulator Small‐target Heating defect detection You Only Look Once (PSH‐YOLO) in each core module of the network structure in a comparative form, intuitively demonstrating the algorithm improvement logic.
Pei Shaotong, Tian Xu, Wang Weiqi, Li Keyu, Hu Chenlong   +4 more
wiley   +1 more source

A Geometric Multigrid Solver for the Incompressible Navier–Stokes Equations Using Discretely Divergence‐Free Finite Elements in 3D

International Journal for Numerical Methods in Fluids, EarlyView.
In this paper, we consider the concept of discretely divergence‐free finite elements (DDFFE) based on the Rannacher–Turek finite element pair to efficiently solve the three‐dimensional incompressible Navier–Stokes equations. For this purpose, we first define a spanning set of DDFFE functions and then characterize a set of basis functions for arbitrary ...
Christoph Lohmann
wiley   +1 more source