Results 81 to 90 of about 49,790 (296)

Insights into the Perplexing Nature of the Bonding in C₂ from Generalized Valence Bond Calculations

Journal of Chemical Theory and Computation, 2013
Diatomic carbon, C2, has been variously described as having a double, triple, or quadruple bond. In this article, we report full generalized valence bond (GVB) calculations on C2. The GVB wave function-more accurate than the Hartree-Fock wave function and easier to interpret than traditional multiconfiguration wave functions-is well-suited for ...
Lu T, Xu, Thom H, Dunning
openaire   +2 more sources

Inducing Ferromagnetism by Structural Engineering in a Strongly Spin‐Orbit Coupled Oxide

Advanced Functional Materials, EarlyView.
ABSTRACT Magnetic materials with strong spin‐orbit coupling (SOC) are essential for the advancement of spin‐orbitronic devices, as they enable efficient spin‐charge conversion, complex magnetic structures, spin‐valley physics, topological phases and other exotic phenomena.
Ji Soo Lim, Carmine Autieri, Merit Spring, Martin Kamp, Amar Fakhredine, Pavel Potapov, Daniel Wolf, Sergii Pylypenko, Axel Lubk, Johannes Schultz, Nicolas Perez, Börge Mehlhorn, Louis Veyrat, Mario Cuoco, Fadi Choueikan, Philippe Ohresser, Bernd Büchner, Giorgio Sangiovanni, Ralph Claessen, Michael Sing   +19 more
wiley   +1 more source

Chiral topological spin liquids with projected entangled pair states

, 2015
Topological chiral phases are ubiquitous in the physics of the Fractional Quantum Hall Effect. Non-chiral topological spin liquids are also well known. Here, using the framework of projected entangled pair states (PEPS), we construct a family of chiral ...
Cirac, J. Ignacio, Poilblanc, Didier, Schuch, Norbert   +2 more
core   +3 more sources

PiP‐Plex: A Particle‐in‐Particle System for Multiplexed Quantification of Proteins Secreted by Single Cells

Advanced Materials, EarlyView.
Detecting proteins secreted by a single cell while retaining its viability remains challenging. A particles‐in‐particle (PiPs) system made by co‐encapsulating barcoded microparticles (BMPs) with a single cell inside an alginate hydrogel particle is introduced.
Félix Lussier, Byeong‐Ui Moon, Mojra Janta‐Polczynski, Yonatan Morocz, Fabian Svahn, Molly Shen, Ljuboje Lukic, Lidija Malic, Teodor Veres, Andy Ng, David Juncker   +10 more
wiley   +1 more source

On the possibility of extending the Nore-Frenkel generalized law of correspondent states to non-isotropic patchy interactions

, 2007
Colloidal systems (and protein solutions) are often characterized by attractive interactions whose range is much smaller than the particle size. When this is the case and the interaction is spherical, systems obey a generalized law of correspondent ...
Foffi, Giuseppe, Sciortino, Francesco
core   +1 more source

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

Advanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll, Ivan Pinto‐Huguet, Enzo Rotunno, Thomas Galvani, Catalina Coll, Payam Habibzadeh Kavkani, Maria Chiara Spadaro, Yann‐Michel Niquet, Martin Børstad Eriksen, Sara Martí‐Sánchez, Georgios Katsaros, Giordano Scappucci, Peter Krogstrup, Giovanni Isella, Andreu Cabot, Gonzalo Merino, Pablo Ordejón, Stephan Roche, Vincenzo Grillo, Jordi Arbiol   +19 more
wiley   +1 more source

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

Quadruple bonding between iron and boron in the BFe(CO)3- complex. [PDF]

, 2019
While main group elements have four valence orbitals accessible for bonding, quadruple bonding to main group elements is extremely rare. Here we report that main group element boron is able to form quadruple bonding interactions with iron in the BFe(CO)3-
Chi, Chaoxian, Hu, Han-Shi, Li, Jun, Li, Wan-Lu, Luo, Mingbiao, Meng, Luyan, Wang, Jia-Qi, Zhang, Yang-Yang, Zhou, Mingfei   +8 more
core   +1 more source

Kelvin Probe Force Microscopy in Bionanotechnology: Current Advances and Future Perspectives

Advanced Materials, EarlyView.
Kelvin probe force microscopy (KPFM) enables the nanoscale mapping of electrostatic surface potentials. While widely applied in materials science, its use in biological systems remains emerging. This review presents recent advances in KPFM applied to biological samples and provides a critical perspective on current limitations and future directions for
Ehsan Rahimi, Mario Palacios‐Corella, Arjan Mol, Salvador Pané, Josep Puigmartí‐Luis   +4 more
wiley   +1 more source

New concepts of metallic bonding based on valence-bond ideas [PDF]

, 1985
From generalized-valence-bond calculations on numerous Li-atom clusters (Li_n and Li_n^+, n
Goddard, William A., III, McAdon, Mark H.   +1 more
core