Results 211 to 220 of about 38,140 (258)

Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein-de Haas. [PDF]

J Phys Chem Lett
Peng L, Qiu T, Bradbury N, Bian X, Bhati M, Littlejohn R, Kidwell NM, Subotnik JE.   +7 more
europepmc   +1 more source

Tailoring Se‐Mediated Co‐Co Dual‐Atom Sites for Oxygen and Iodide Electrocatalysis Toward High‐Efficiency and Ultradurable Zinc‐Air/Iodide Hybrid Batteries

Carbon Energy, EarlyView.
A Se‐mediated Co dual‐atom catalyst replaces sluggish oxygen evolution with efficient iodide oxidation in zinc‐air/iodide hybrid batteries. Se‐induced d‐p orbital hybridization optimizes adsorption, enabling a low 0.365 V voltage gap and superior durability, fundamentally overcoming conventional kinetic bottlenecks.
Huaipeng Pang, Xueli Ji, Yuhao Liu, Qitong Sun, Lin Li, Xiaolei Huang, Fanlu Meng   +6 more
wiley   +1 more source

A Mathematical Analysis of IPT-DMFT. [PDF]

Commun Math Phys
Cancès E, Kirsch A, Perrin-Roussel S.
europepmc   +1 more source

A [3]Rotaxane Containing {Ti7Ga} Rings Linking CuII: Synthesis, Structure, and Spectroscopic Studies

Chemistry – A European Journal, EarlyView.
Extended hybrid inorganic‐organic [2]‐ and [3]‐rotaxanes are reported based on heterometallic rings with threads that link CuII complexes; the crystal structures are reported, and the solution behavior is investigated by double electron electron resonance spectroscopy methods.
Selena J. Lockyer, Lubomir Loci, George F. S. Whitehead, Inigo J. Vitorica‐Yrezabal, Grigore A. Timco, Alice M. Bowen, Eric J. L. McInnes, Richard E. P. Winpenny   +7 more
wiley   +1 more source

Tests Demonstrate the Accuracy of the <i>Q</i>_<i>im</i>-Reaction Path Hamiltonian for Double-Well Tunneling Splittings for H-Atom Transfer. [PDF]

J Phys Chem A
Qu C, Nandi A, Houston PL, Bowman JM.
europepmc   +1 more source

A High Energy Barrier DyIII2 Single‐Molecule Magnet Supported by a Bulky, Anionic N–O Bridging Ligand

Chemistry – A European Journal, EarlyView.
Complex [Dy2(hynad)2(dbm)4] was prepared by the employment of the anionic N–O‐based bridging and chelating N‐hydroxy‐1,8‐naphthalimide ligand, featuring a {Dy2(µ‐OR)2}4+ core and exhibiting zero‐field SMM behavior with a Ueff value of 171 K and double‐S‐shaped hysteresis loops, open up to 3.5 K.
Alexandros S. Armenis, Concepción Molina‐Jirón, Konstantinos N. Pantelis, Wolfgang Wernsdorfer, Mario Ruben, Eufemio Moreno‐Pineda, Theocharis C. Stamatatos   +6 more
wiley   +1 more source

Conformational Dynamics of Plasmepsin X during Inhibitor Binding. [PDF]

J Phys Chem B
Karubiu W, Kullmann R, Krummhaar M, Roth C, Weikl TR.   +4 more
europepmc   +1 more source

Tetradecanuclear {Ni9Ln5} Clusters Featuring Encapsulated {Ln5} Trigonal Bipyramids: Modular 3d‐4f Architectures With Broad‐Range Magnetocaloric Response

Chemistry – A European Journal, EarlyView.
The use of 2‐aminoisobutyric acid in 3d–4f chemistry affords three {Ni₉Ln5} clusters, with the Gd analogue exhibiting an unusually broad magnetocaloric effect across an extended temperature range. ABSTRACT The solvothermal reaction between Ni(HCOO)2.2H2O, 2‐aminoisobutyric acid (aibH), Ln(OAc)3·4H2O (Ln = Gd, Y, Dy) and NEt3 in MeOH/MeCN affords the ...
Thomais G. Tziotzi, Evangelia G. Asmargiannaki, Ben Thamm, Scott J. Dalgarno, Emmanouil K. Charkiolakis, Marc Ubach I. Cervera, David Gracia, Marco Evangelisti, Constantinos J. Milios   +8 more
wiley   +1 more source

Anomalous Behavior Induced by a Single Impurity in Non-Hermitian Topological Systems with Nonreciprocal Coupling. [PDF]

Entropy (Basel)
Wang J, Wang Z, Ma X, Yi X.
europepmc   +1 more source

Stochastic Gradient Descent in High Dimensions for Multi‐Spiked Tensor PCA

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We study the high‐dimensional dynamics of online stochastic gradient descent (SGD) for the multi‐spiked tensor model. This multi‐index model arises from the tensor principal component analysis (PCA) problem with multiple spikes, where the goal is to estimate the unknown signal vectors within the N$N$‐dimensional unit sphere through maximum ...
Gérard Ben Arous, Cédric Gerbelot, Vanessa Piccolo   +2 more
wiley   +1 more source