Results 171 to 180 of about 78,220 (312)

Halogen Bonds under Electric Field with Quantum Accuracy and Relativistic Basis Sets. [PDF]

J Phys Chem A
Ottanà G, Mastronardo S, Eminger P, Mráziková K, Trusso S, Saija F, Ferus M, Monsù Scolaro L, Xie J, Tommasini M, Cassone G.   +10 more
europepmc   +1 more source

High‐Conductivity Electrolytes Screened Using Fragment‐ and Composition‐Aware Deep Learning

Advanced Science, EarlyView.
We present a new deep learning framework that hierarchically links molecular and functional unit attributions to predict electrolyte conductivity. By integrating molecular composition, ratios, and physicochemical descriptors, it achieves accurate, interpretable predictions and large‐scale virtual screening, offering chemically meaningful insights for ...
Xiangwen Wang, Muyang Chen, Gengyi Bao, Yan Lai, Jinghe Cao, Xinhua Liu, Rui Tan   +6 more
wiley   +1 more source

Publisher Correction: A dataset of chemical reaction pathways incorporating halogen chemistry. [PDF]

Sci Data
Lee M, Jeong J, Ashyrmamatov I, Ucak UV, Kim S, Lee J, Sim E.   +6 more
europepmc   +1 more source

Ion‐Confinement‐Assisted Erasure Purifies Oxidized MXene for Reuse

Advanced Science, EarlyView.
An erasure‐purification strategy removes surface‐derived TiO2 from oxidized Ti3C2Tx MXene by ion‐confinement‐induced interfacial conversion to soluble titanates, followed by brief acid washing. The scalable process enables approximately 70% material recovery, restores electrical conductivity, and recovers functional performance, including high ...
Xuefeng Zhang, Yujia Wu, Huayu Xu, Jinyi Ye, Yanfang Yang, Haohan Wu, Jiayi Lu, Hao Li, Dongxiao Kan, Jingfeng Wang, Hui Kang, Zhimin Fan   +11 more
wiley   +1 more source

Ortho-Carborane-Derived Halogen-Bonded Sandwich Complexes. [PDF]

Chemistry
Vonnemann CJ, Engelage E, Ward JS, Rissanen K, Huber SM.   +4 more
europepmc   +1 more source

Single‐Atom Cobalt Species on Curved Hollow Carbon Sphere: Breaking Linear Scaling Relationship Limitations in Electrocatalytic Deactivation of Dilute Antibiotic Pollutants

Advanced Science, EarlyView.
A cobalt (Co)‐SACs consisting of single‐atom Co anchored on a nitrogen‐doped hollow porous carbon sphere (Co1/N‐HCS) is fabricated for electrocatalytic hydrodechlorination of dilute antibiotics. The hollow porous architecture of N‐HCS concentrates the antibiotics, while its curved surface promotes proton transfer at the Co1 site via localized electric ...
Jiahong Zou, Shenbin Zheng, Chunyang Dan, Huimin Sui, Wenyang Fu, Xiaoshu Lv, Boping Ren, Guangming Jiang, Hong Liu   +8 more
wiley   +1 more source

Spatial Control Over Tether‐Tunable Coordination on Palladium for Divergent Synthesis of Bicyclo[n.1.0]alkanes via Oxidative Cyclopropanation of Enynes

Advanced Science, EarlyView.
We have developed a Pd‐catalyzed oxidative cyclopropanation of 1,n‐enynes employing cyclic diacyl peroxides as bifunctional reagents that serve as both tether‐tunable oxidants and spatially controlled dicarboxylate anions. ABSTRACT Bicyclo[n.1.0]alkanes are highly valuable scaffolds in drug discovery and synthetic chemistry.
Ting Yuan, Lei Shi
wiley   +1 more source

Free-Standing Halogen-Bonded Nanosheets Formed by Ultrasonic Liquid Exfoliation. [PDF]

Adv Sci (Weinh)
Purba PC, Marelli E, Roseveare TM, Nicks J, Brammer L, White NG, Martsinovich N, Resnati G, Metrangolo P, Foster JA.   +9 more
europepmc   +1 more source

Beyond Cocrystals: Hierarchical Functional Assemblies via Noncovalent Synthesis

Advanced Science, EarlyView.
Non‐covalent interactions (NCIs) drive the formation of organic cocrystals with diverse structures and tunable optoelectronic properties. This review explores the essential factors governing these properties, highlighting how the sequential nucleation of cocrystals leads to the self‐assembly of organic hierarchical structures (OHSs).
Ya‐Nan Zhu, Jin Feng, Ying‐Xin Ma, Hong‐Tao Lin, Li‐Wei Xie, Qi‐Liang Peng, Xue‐Dong Wang   +6 more
wiley   +1 more source

On the vertical distribution of boundary layer halogens over coastal Antarctica: implications for O₃, HO_x, NO_x and the Hg lifetime

, 2007
Alfonso Saiz‐Lopez, J. M. C. Plane, A. S. Mahajan, P. S. Anderson, Stéphane Bauguitte, A. E. Jones, H. K. Roscoe, R. A. Salmon, W. J. Bloss, J. D. Lee, D. E. Heard   +10 more
openalex   +1 more source