Results 141 to 150 of about 5,309,525 (360)

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

Large-Scale Convex Optimization Via Saddle Point Computation [PDF]

, 1999
Markku Kallio, Charles H. Rosa
openalex   +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

Exploring the Ring–Ring Expansion and Pyrazole Substitution of Chlorophosphazenes [PCl2N]3,4 Through Mechanochemical Ball‐Milling and Quantum Mechanical Computation

Journal of Heterocyclic Chemistry, EarlyView.
Mechanochemical ball‐milling of cyclic chlorophosphazenes at room temperature enables ring–ring expansion to larger cycles and pyrazole substitution, avoiding hazardous solvents and high temperatures. ABSTRACT In this study, we are using low‐energy mechanochemical ball‐milling with [PCl2N]3–4 at room temperature as an alternative to high‐temperature ...
Carrie Salmon, Yuan Xue, Eunseo Yeo, Valentin Gogonea, Susan Ramlo   +4 more
wiley   +1 more source

Three-dimensional higher-order saddle-point-induced flatbands in Co-based kagome metals

Physical Review Research
The saddle point (Van Hove singularity) exhibits a divergent density of states in two-dimensional systems, leading to fascinating phenomena such as strong correlations and unconventional superconductivity, yet it is seldom observed in three-dimensional ...
Hengxin Tan, Yiyang Jiang, Gregory T. McCandless, Julia Y. Chan, Binghai Yan   +4 more
doaj   +1 more source

Existence of solutions for a vector saddle point problem [PDF]

, 2000
K.R. Kazmi, Suhel Ahmad Khan
openalex   +1 more source

Renormalons as Saddle Points

5 pages, 1 Appendix and 2 ...
Bhattacharya, Arindam, Cotler, Jordan, Dersy, Aurélien, Schwartz, Matthew D.   +3 more
openaire   +2 more sources

When Does Top Management Team Diversity Matter in Large Organizations?

Journal of Organizational Behavior, EarlyView.
ABSTRACT Top management teams (TMTs) drive strategic leadership, but there is little clarity on when the composition of these upper echelons most impacts organization performance. Drawing from the categorization‐elaboration model, we study an 18‐year sample of approximately 4500 organizations and over 32 000 executives and find a positive relationship ...
Frances Fabian, James M. Plečnik, Shan Wang   +2 more
wiley   +1 more source