Results 281 to 290 of about 1,610,034 (354)

Ab Initio Exact Calculation of Strongly Correlated Nucleonic Matter [PDF]

R. Z. Hu, S. L. Jin, X. Zhen, Haoyu Shang, Junchen Pei, F. R. Xu, F. Marino   +6 more
openalex   +1 more source

Programmable Guest‐Induced 5‐Phase‐Transition Topological Reconstructions of Cobalt Formate Metal–Organic Frameworks

Advanced Science, EarlyView.
A reversible five‐phase topological cycle is achieved in a minimalist cobalt formate metal–organic framework. The amorphous phase functions as a programmable reactive hub, selectively reconstructing into four distinct crystalline architectures through cationic templates, humidity, or CO2.
Zhiyu Tao, Jingjian Li, Jing Ling, Tianxiang Chen, Wing‐Yiu Yu, Cong Lin, Tsz Woon Benedict Lo   +6 more
wiley   +1 more source

Formation Enthalpies of C₃ and C₄ Brominated Hydrocarbons: Bringing Together Classical Thermodynamics, Modern Mass Spectrometry, and High-Level Ab Initio Calculations. [PDF]

J Phys Chem A
Paulechka E, Kazakov A.
europepmc   +1 more source

Ab initio calculations of $^{229}$Th band-to-band internal conversion rate in $^{229}$ThO$_2$ [PDF]

U. C. Perera, H. B. Tran Tan, Harry W. T. Morgan, Eric R. Hudson, Daniel A. Rehn, Andrei Derevianko   +5 more
openalex   +1 more source

High‐Current‐Density Acidic CO2 Electroreduction to Formic Acid Enabled by Multiscale Microenvironment Regulation Over Defect‐Rich Sn/SnOx

Advanced Science, EarlyView.
Acidic CO2 electroreduction to formic acid is enabled by integrating mixed Sn/SnOx nanoclusters, K+‐regulated interfacial solvation, and Janus wettability. Coordinated control of active sites, interfacial water, and gas‐liquid transport suppresses hydrogen evolution and delivers approximately 85% HCOOH Faradaic efficiency at 400 mA cm−2.
Qiaoqi Guo, Bowen Jiang, Le Huang, Kunyu Jiang, Rongrong Tang, Qinong Zhu, Huajun Feng, Mengyang Fan, Yijing Xia   +8 more
wiley   +1 more source

Effect of Dynamical Motion in ab Initio Calculations of Solid-State Nuclear Magnetic and Nuclear Quadrupole Resonance Spectra. [PDF]

Chem Mater
Wagle K, Rehn DA, Mattsson AE, Mason HE, Malone MW.   +4 more
europepmc   +1 more source

Electronic and Optical Properties of the TlIn3S5 Crystals: Ab Initio Calculation and Experiment

Z. A. Jahangirli, Irada A. Mamedova, Vafa B. Aliyeva, S. I. Mammadova, Sadiyar S. Ragimov, Tofig G. Mammadov, Nadir A. Abdullayev, Arzu I. Najafov   +7 more
openalex   +1 more source

Mixed‐Valence Atomic‐Layer Iridium Patches Enhance Alkaline Hydrogen Evolution

Advanced Science, EarlyView.
Engineering iridium architectures on Cu3P nanowires reveals that atomic‐layer Ir patches form a mixed‐valence interfacial motif with an anisotropic electronic structure. This configuration balances water dissociation and hydrogen adsorption/desorption, delivering superior alkaline hydrogen evolution with a 27 mV overpotential and 1 A cm−2 operation in ...
Payam Ahmadian Koudakan, Xiaobin Hao, Rui Guo, Omid Mazaheri, Matthias Pichler, Qinjian Luo, Bufeng Zhang, Shuaijun Pan   +7 more
wiley   +1 more source

Sulfur–Oxygen Competitive Coordination Allosteric Hydrogel for Triboelectric Nanogenerator‐Based Intelligent Tactile Recognition

Advanced Science, EarlyView.
A dynamic Ag+─S coordinated hydrogel with a sulfur–oxygen competitive coordination allosteric switch enables reversible tuning between soft–adhesive and stiff–robust states. Integrated with a lightweight 1DCNN classifier, the smart glove system achieves 99.70% laboratory and 93.35% real‐wear material recognition accuracy, offering a paradigm for self ...
Shixia Lan, Lin Zhang, Yunyun Dong, Yongyun Mao, Wanbiao Hu   +4 more
wiley   +1 more source

Structural Basis of Lymphangiogenic Receptor VEGFR‐3 Activation Mediated by Distinctive Clustering of the Ligand–Receptor Complex

Advanced Science, EarlyView.
VEGF‐C and its receptor VEGFR‐3 are critical for lymphangiogenesis. Cryo‐EM structures of the VEGFR‐3/VEGF‐C ectodomain complex reveal a canonical 2:2 ligand–receptor hetero‐tetramer that further assembles into higher‐order clusters beyond simple receptor dimerization.
Ryeongeun Cho, Jinsook Ahn, Jimin Yang, Dong Sun Lee, Gahi Hong, Sangkyu Lee, Ho Min Kim   +6 more
wiley   +1 more source