Results 81 to 90 of about 822,046 (302)

COMPUTER SIMULATION OF STRUCTURAL FRAGMENTS OF COAL ORGANIC MASS

open access: yesВестник Кемеровского государственного университета, 2014
Hybrid B3LYP and gradient SLYP functionals were used to reveal the structure of organic mass of coal within the density functional theory in the basis of local orbitals. For all modeled compounds a number of important characteristics was identified – the
A. N. Porohnov, Yu. N. Zhuravlev
doaj  

C-PCM study of solvent influence on the ground and excited state structures of borazanaphthalene

open access: yesResults in Chemistry
In this research, the borazanaphthalene molecule is optimized at the ground state (S0), first singlet (S1), and triplet (T1) excited states using the M062X/6-311G(d,p) level of theory. The excited states were determined by the time-dependent DFT (TD-DFT)
Reza Ghiasi, Mohammad Nikbakht
doaj   +1 more source

A novel and stable ultraviolet and infrared intensity sensor in impedance/capacitance modes fabricated from degraded CH3NH3PbI3-xClx perovskite materials

open access: yesJournal of Materials Research and Technology, 2020
The present situation of COVID-19 diverted our focus towards utilizing the degraded solar cells for sensor application, this will help in global energy harvesting. So, here is our successful effort to reuse already degraded solar cells as ultraviolet (UV)
Tahseen Amin Qasuria   +3 more
doaj   +1 more source

A natural little hierarchy for RS from accidental SUSY

open access: yes, 2011
We use supersymmetry to address the little hierarchy problem in Randall-Sundrum models by naturally generating a hierarchy between the IR scale and the electroweak scale.
A Birkedal   +67 more
core   +1 more source

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

open access: yesAdvanced Functional Materials, EarlyView.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger   +10 more
wiley   +1 more source

Laser‐Induced Graphene from Waste Almond Shells

open access: yesAdvanced Functional Materials, EarlyView.
Almond shells, an abundant agricultural by‐product, are repurposed to create a fully bioderived almond shell/chitosan composite (ASC) degradable in soil. ASC is converted into laser‐induced graphene (LIG) by laser scribing and proposed as a substrate for transient electronics.
Yulia Steksova   +9 more
wiley   +1 more source

Mesonic Spectrum from a Dynamical Gravity/Gauge model

open access: yes, 2010
Within a formulation of a Dynamical AdS/QCD model we calculate the spectrum of light flavored mesons. The background fields of the model correspond to an IR deformed Anti de Sitter metric coupled to a dilaton field.
Aitala   +41 more
core   +1 more source

Near‐Infrared Emitting Lanthanide Catecholate Giant Single Crystals – Morphology Control and Photon Down‐Conversion

open access: yesAdvanced Functional Materials, EarlyView.
Controlled syntheses of lanthanide coordination polymers based on the dihydroxybenzoquinone (DHBQ) organic linker afforded large single crystals of Ln‐DHBQ CPs (Ln = Yb, Nd). A novel structural variant of Yb‐DHBQ is identified by means of single crystal diffraction analysis.
Marina I. Schönherr   +7 more
wiley   +1 more source

Spectroscopic Data of Fluopimomide and Interpretations

open access: yesChinese Journal of Magnetic Resonance
Fluopimomide is a broad-spectrum fungicide whose structure was characterized using high-resolution mass spectrometry (HR-MS), ultraviolet spectroscopy (UV), infrared spectroscopy (IR), and nuclear magnetic resonance spectroscopy (NMR). The characteristic
YI Chunhai, LI Fang, YANG Xiaoyun
doaj   +1 more source

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