Results 81 to 90 of about 3,951,961 (299)

Spectroscopic constants and anharmonic force field of thiirane: a theoretical study

open access: yes
The potential interstellar medium molecule, thiirane, has received considerable attention of experimental and theoretical studies in recent years. The anharmonic force field and spectroscopic constants of thiirane are calculated using CCSD(T) and B3LYP ...
Xiao-Min Song (17987047)   +4 more
core   +1 more source

A molecular "screw-​clamp": accelerating click reactions in miniemulsions [PDF]

open access: yes, 2014
The interface as a “screw clamp”: the copper-free 1,3-dipolar azide–alkyne cycloaddition at the interface of nanodroplets in miniemulsions was studied in detail by NMR spectroscopic methods.
Kreyes, A.   +15 more
core   +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

Ab initio electronic structure and prospects for the formation of ultracold calcium–alkali-metal-atom molecular ions

open access: yesNew Journal of Physics, 2020
Experiments with cold ion–atom mixtures have recently opened the way for the production and application of ultracold molecular ions. Here, in a comparative study, we theoretically investigate ground and several excited electronic states and prospects for
Wissem Zrafi   +4 more
doaj   +1 more source

Methods for the estimation of binding constants by capillary electrophoresis

open access: yes, 1997
Capillary electrophoresis (CE) has developed into a particularly effective means to determine apparent equilibrium constants for molecular association in solution (e.g., to micelles, cyclodextrins, antibiotics, proteins, RNA, DNA, etc.).
Armstrong, Daniel W.   +3 more
core   +1 more source

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

open access: yesAdvanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian   +7 more
wiley   +1 more source

Reaction Pathway and Rovibrational Analysis of Aluminum Nitride Species as Potential Dust Grain Nucleation Agents

open access: yesThe Astrophysical Journal
A dust nucleating agent may be present in interstellar or circumstellar media that has gone seemingly undetected and unstudied for decades. Some analyses of the Murchison CM2 meteorite suggest that at least some of the aluminum present within condensed ...
C. Zachary Palmer, Ryan C. Fortenberry
doaj   +1 more source

Estimation of some Vibrational Spectroscopic Constants of Group V Trihalides

open access: yes, 2005
From the available experimental reports on structural and vibrational spectroscopic data of group V trihalids, it was observed that the bond distances bear a linear relationship with their respective vapour phase vibrational frequencies and bond angles ...
N, Jigeesh,, M, Rangacharyulu,
core  

SiCCO and CCCO: accurate equilibrium structures and spectroscopic constants

open access: yes, 2005
Cubic force fields have been calculated for SiCCO and CCCO by means of the coupled cluster variant CCSD(T) and Dunning's cc-pVQZ basis set. There from, a variety of spectroscopic constants (harmonic vibrational wavenumbers, vibration-rotation coupling ...
Botschwina, Peter
core   +1 more source

From Food to Power: Hydrogel Thermoelectrics for Ingestible Electronics

open access: yesAdvanced Functional Materials, EarlyView.
We introduce a fully edible thermoelectric–electrochromic platform that harvests heat from food and converts it into a visible color change. N‐type and p‐type hydrogel thermoelectric generators connected in series power anthocyanin‐based electrochromic displays, demonstrating the feasibility of safe, biodegradable, ingestible systems for on‐food ...
Antonia Georgopoulou   +3 more
wiley   +1 more source

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