Results 51 to 60 of about 371,806 (272)

The Synergism of β‐Cyclodextrin and Fe3+ Enabled Anti‐Swelling Ion‐Conductive Hydrogels for Multimodal Underwater Sensing Aided by Machine Learning Algorithms

open access: yesAdvanced Science, EarlyView.
An anti‐swelling ion‐conductive hydrogel is developed via β‐cyclodextrin and Fe3+ synergism, enabling reliable underwater motion sensing and Morse code communication. Integrated with machine learning, the system achieves 98.6% accuracy in real‐time underwater handwriting recognition for rapid information transmission.
Hao Dong   +13 more
wiley   +1 more source

Theoretical Study of Vibrational Frequencies and Chemical Shifts of Choline Halides (F, Cl, Br)

open access: yesSüleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, 2010
The vibrational frequencies and 1H and 13C chemical shifts of choline halides have been calculated using density functional theory (B3LYP) method with 6-311++G(d, p) and 6-31 G(d, p) basis set level in Gaussian 03 and Parallel Quantum Solutions (PQS) ab ...
Mustafa Karakaya   +3 more
doaj  

Mechanism and Application of Photocatalytic Hydrogen Generation by Cobalt Oximes

open access: yesChemical Engineering Transactions, 2018
In this work, cobaloxime molecules have been synthesized in our group, and new photoinduced hydrogen production systems have been constructed. Based on the new systems for hydrogen production, the mechanism of electron transfer as well as system ...
Zhang Shuai, Chen Lei
doaj   +1 more source

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes Through Deep Learning‐Assisted FIB‐SEM Characterization, Manufacturing and Electrochemical Modeling

open access: yesAdvanced Energy Materials, EarlyView.
A combination of discrete and finite element method models for the current collector deformation and electrochemical performance analysis, respectively. The models are calibrated and validated with electrochemical and imaging data of hard carbon electrodes. These electrodes were manufactured with different parameters (slurry solid contents of 35 and 40
Soorya Saravanan   +12 more
wiley   +1 more source

First principles calculations of Al AsxP1-x ternary nanocrystal alloying composition

open access: yesIraqi Journal of Physics, 2019
III-V zinc-blende AlP, AlAs semiconductors and their alloy Aluminum Arsenide phosphide Al AsxP1-x ternary nanocrystals have been investigated using Ab- initio density functional theory (Ab-initio-DFT) at the generalized-gradient approximation (GGA ...
Mohammed T. Hussein
doaj   +1 more source

Wide temperature range studies of the low frequency THz spectrum of benzoic acid using FTIR spectroscopy

open access: yesHeliyon, 2020
Fourier Transform Infrared Spectroscopy was employed to measure the low frequency terahertz transmission spectrum of benzoic acid over a wide temperature range.
Lucia M. Lepodise
doaj   +1 more source

Current Helicity and Twist as Two Indicators of The Mirror Asymmetry of solar Magnetic Fields

open access: yes, 2008
A comparison between the two tracers of magnetic field mirror asymmetry in solar active regions, twist and current helicity, is presented. It is shown that for individual active regions these tracers do not possess visible similarity while averaging by ...
A.A. Pevtsov   +31 more
core   +1 more source

Machine Learning‐Enhanced Random Matrix Theory Design for Human Immunodeficiency Virus Vaccine Development

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study integrates random matrix theory (RMT) and principal component analysis (PCA) to improve the identification of correlated regions in HIV protein sequences for vaccine design. PCA validation enhances the reliability of RMT‐derived correlations, particularly in small‐sample, high‐dimensional datasets, enabling more accurate detection of ...
Mariyam Siddiqah   +3 more
wiley   +1 more source

Rigid and Relaxed Potential Energy Surface Scans (PES Scan) in Gaussian 03 and Gaussian 09

open access: yes, 2010
Another common question on CCL… The use of Internal Redundant coordinates (through the Opt=ModRedundant option) must not be overlooked! This option performes a geometry optimization at each step while maintaining the scanned variable constant, which is referred to as a Relaxed Potential Energy Surface (PES) Scan.
openaire   +1 more source

Explicit solution for a Gaussian wave packet impinging on a square barrier [PDF]

open access: yes, 2003
The collision of a quantum Gaussian wave packet with a square barrier is solved explicitly in terms of known functions. The obtained formula is suitable for performing fast calculations or asymptotic analysis.
A L P rez Prieto   +31 more
core   +3 more sources

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