Results 71 to 80 of about 3,736,159 (294)

Multireference configuration interaction study on spectroscopic parameters and molecular constants of AsN(X1 +) radical

Acta Physica Sinica, 2011
The potential energy curve (PEC) of the AsN(X1 +) radical is investigated by the highly accurate valence internally contracted multireference configuration interaction method in combination with the correlation-consistent basis sets, aug-cc-pV5Z for As and aug-cc-pV6Z for N atom.
null Wang Jie-Min, null Sun Jin-Feng
openaire   +1 more source

Nematic Twist-Bend Phase with Nanoscale Modulation of Molecular Orientation [PDF]

, 2013
Peer ...
Panov, V P, Jákli, A., Panov, V. P., Kim, Y K, Imrie, C T, Mehl, G H, Imrie, C. T., Tamba, M. G., Tampa, M G, Lavrentovich, O D, Lavrentovich. O. D., Jakli, A, Xiang, J., Xiang, J, Mehl, G. H., Vij, J K, Gao, M., Vij, J. K., Kim, Y. -K., Lavrentovich, O. D., KIM, YOUNGKI, Borshch, V.   +21 more
core   +1 more source

Interaction of Conazole Pesticides Epoxiconazole and Prothioconazole with Human and Bovine Serum Albumin Studied Using Spectroscopic Methods and Molecular Modeling

, 2021
The interactions of epoxiconazole and prothioconazole with human serum albumin and bovine serum albumin were investigated using spectroscopic methods complemented with molecular modeling.
Jozef Uličný, Valéria Verebová, Jana Staničová, Samuel Havadej, Beáta Holečková, Katarína Golianová   +5 more
core   +1 more source

Modular Critical Element Recycling Platform Using a Nanoporous Additively Manufactured Gyroid

Advanced Engineering Materials, EarlyView.
A modular recycling platform integrates 3D‐printed nanoporous gyroid structures to enable efficient critical element recovery. This system utilizes a hierarchical architecture, combining macroscopic channels with polymerization‐induced nanoscale porosity. By systematically tuning structural wall thickness and resin formulation, the platform achieves an
Xiangyu Gao, Keldy Mason, Mert Gülçür, Rachel Paddock‐Lamb, Prince Alvin Fofanah, Zachariah A. Page, Michael Cullinan   +6 more
wiley   +1 more source

M-type Star Spectral Analysis: ScO Line List Including the B2Σ+–X2Σ+ Band System

The Astrophysical Journal
An analysis of the B ^2 Σ ^+  − X ^2 Σ ^+ band system of ^45 Sc ^16 O is presented. ScO was excited in a hollow cathode discharge, and its Doppler-limited resolution spectrum was measured with a Fourier transform spectrometer. The spectroscopic constants
Léo Lavy, Jacques Liévin, Peter F Bernath   +2 more
doaj   +1 more source

MOLECULAR-BEAM SPECTROSCOPIC STUDIES OF INTERMOLECULAR INTERACTIONS

, 1981
The results of molecular-beam electric-resonance studies of weakly bound van der Waals complexes are discussed. The use of spectroscopic constants to investigate intermolecular interactions is critically examined.
HOWARD, B
core   +1 more source

Symmetry‐Guided Multifunctional Acoustic System Based on Mechanically Actuated Sonic Crystals

Advanced Engineering Materials, EarlyView.
This study presents the design, simulation, and experimental validation of amultifunctional acoustic metamaterial based on rotationally engineered sonic crystals.By tuning cylinder orientations, controllable band gaps and six distinct functionalities—including switching, topological insulation, beam splitting, and logic operations—areachieved ...
Yuanyan Zhao, Sriram Subramanian, Gianluca Memoli   +2 more
wiley   +1 more source

A Practical Noise2Noise Denoising Pipeline for High‐Throughput Raman Spectroscopy

Advanced Engineering Materials, EarlyView.
A lightweight and reproducible denoising pipeline for high‐throughput Raman spectroscopy is introduced, based on a 1D convolutional autoencoder trained with a Noise2Noise strategy. Using only repeated short‐exposure acquisitions, the method suppresses stochastic noise without reference spectra, enabling reliable spectral reconstruction while preserving
David Martin‐Calle, Cesar Alvarez‐Llamas, Vincent Motto‐Ros, Christophe Dujardin, Jérémie Margueritat, David Rodney   +5 more
wiley   +1 more source

Formation pathways and detectability of interstellar C2HNO-bearing molecules

Astronomy & Astrophysics
Aims. We explored N-bearing molecules of the general formula C2HNO. We provide their spectroscopic constants, structural properties relevant for detection, and reaction pathways to constrain their formation in the interstellar medium. Methods.
Godwin Oko Emmanuel, Inostroza-Pino Natalia, MacLeod-Carey Desmond, Mardones Diego   +3 more
doaj   +1 more source

High‐Resolution Corrosion Fingerprinting of Alloy Libraries via Microdroplet Spectroelectrochemistry

Advanced Engineering Materials, EarlyView.
Ionic‐liquid microdroplet spectroelectrochemistry enables stable, localized electrochemical measurements over extended timescales. By coupling impedance spectroscopy, wetting analysis, finite‐element simulations, and operando Raman spectroscopy, it disentangles geometrical and electrochemical effects, opening new opportunities for rapid corrosion ...
Ekaterina Kurchavova, Oumaïma Gharbi, Mireille Turmine, Vincent Vivier   +3 more
wiley   +1 more source