Microwave Spectrum, Conformation, Intramolecular Hydrogen Bonding, Dipole Moment and Centrifugal Distortion Constants of (N-Methylamino)-ethanenitrile. [PDF]
, 1985 Ole-Anders Braathen +4 more
openalex +1 more source
Advanced Functional Materials, EarlyView.Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang +9 more
wiley +1 more source
Microwave Spectrum, Intramolecular Hydrogen Bonding, Dipole Moment and Centrifugal Distortion of 2,2-Difluoroethanol. [PDF]
, 1980 K.‐M. Marstokk +6 more
openalex +1 more source
Advanced Functional Materials, EarlyView.Ambient‐dried composite aerogels integrating MOF‐303, TEMPO‐oxidized cellulose nanofibers (TOCNF), and hygroscopic salts enable high‐performance atmospheric water harvesting (AWH), achieving competitive uptake at both low and high humidity. Enhanced with a solar‐evaporation layer, these scalable aerogels support self‐sustained plant growth in a ...
Ahmadreza Ghaffarkhah +12 more
wiley +1 more source
Microwave Spectrum, Conformational Equilibria, Intramolecular Hydrogen Bonding, Dipole Moment and Centrifugal Distortion of 3-Hydroxypropanenitrile. [PDF]
, 1985 K.‐M. Marstokk +5 more
openalex +1 more source
Low‐Symmetry Weyl Semimetals: A Path to Ideal Topological States
Advanced Functional Materials, EarlyView.This study presents a theoretical framework for realizing ideal Weyl semimetals, where Weyl nodes are well‐isolated at the Fermi level. The approach is exemplified in the low‐symmetry material Cu2SnSe3, which exhibits tunable topological phases, current‐induced orbital magnetization, and a strong circular photogalvanic effect, making it a promising ...
Darius‐Alexandru Deaconu +3 more
wiley +1 more source
Exploring alkylpyrazine stability across aggregation states: a DFT perspective
Discover ChemistryDetermining the structure and properties of analytes and their ions, such as proton-bound clusters, is crucial for both the theoretical understanding and practical applications of mass spectrometry, ion mobility spectrometry, and other related chemical ...
Manjeet Bhatia
doaj +1 more source
Microwave Spectrum, Conformation, Intramolecular Hydrogen Bond and Dipole Moment of 2,3-Butadien-1-ol. [PDF]
, 1983 Anne Horn +4 more
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Near‐Field Optical Detection of Defect‐Stabilized Metallic Islands at the Verwey Transition in Fe3O4
Advanced Functional Materials, EarlyView.Nanoscale metallic islands emerging across the Verwey transition in thin films of Fe3O4 are imaged using near‐field optical microscopy from mid‐infrared to terahertz frequencies. Recurring across thermal cycles, these disorder‐stabilized islands exhibit distinct transition temperatures.
Kajal Tiwari +4 more
wiley +1 more source
A chemical bond-based machine learning model for dipole moment: Application to dielectric properties of liquid methanol and ethanol [PDF]
Tomohito Amano +2 more
openalex +1 more source