Results 71 to 80 of about 826,612 (302)

An Effective Semiclassical Approach to IR Spectroscopy [PDF]

open access: yes, 2019
We present a novel approach to calculate molecular IR spectra based on semiclassical molecular dynamics. The main advance from a previous semiclassical method [M. Micciarelli, R. Conte, J. Suarez, M. Ceotto J. Chem. Phys.
Ceotto, Michele   +3 more
core   +2 more sources

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

open access: yesAdvanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund   +6 more
wiley   +1 more source

Density Functional Study of a Helical Organic Cation

open access: yesCHIMIA, 2003
We report on the first stage of our theoretical study of the quino[2,3,4-kl]acridinium,1,13-dimethoxy-5,9-dipropyl-cation. This molecule, involved in the synthesis of novel triazaangulenium dyes of high chemical stability, is a chiral [4 ...
Delphine Bas   +3 more
doaj   +1 more source

The Unusual Object IC 2144/MWC 778

open access: yes, 2008
IC 2144 is a small reflection nebula located in the zone of avoidance near the Galactic anticenter. It has been investigated here largely on the basis of Keck/HIRES optical spectroscopy (R ~ 48,000) and a SpeX spectrogram in the near-IR (R = 2000 ...
Allen   +13 more
core   +1 more source

Infrared Observations of The Millisecond Pulsar Binary J1023+0038: Evidence for Short-Term Nature of Its Interacting Phase in 2000--2001 [PDF]

open access: yes, 2013
We report our multi-band infrared (IR) imaging of the transitional millisecond pulsar system J1023+0038, a rare pulsar binary known to have an accretion disk in 2000--2001.
Morrell, Nidia   +2 more
core   +1 more source

In Situ Constructed Magnetic Core‐Shell Hydrogen‐Bonded Organic Framework‐on‐Metal–Organic Framework Structure: an Efficient Catalyst for Peroxymonosulfate Activation

open access: yesAdvanced Functional Materials, EarlyView.
In this work, a magnetic core‐shell catalyst (HOF‐on‐Fe3O4/ZIF‐67) is successfully synthesized, consisting of a metal–organic framework (ZIF‐67) with magnetic Fe3O4 as the core and a porous hydrogen‐bonded organic framework (HOF) as the shell. The catalyst efficiently activated peroxymonosulfate, resulting in rapid and effective removal of water ...
Yingying Du   +4 more
wiley   +1 more source

Do scale-invariant fluctuations imply the breaking of de Sitter invariance?

open access: yes, 2012
The quantization of the massless minimally coupled (mmc) scalar field in de Sitter spacetime is known to be a non-trivial problem due to the appearance of strong infrared (IR) effects.
Youssef, Ahmed
core   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

open access: yesAdvanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer   +12 more
wiley   +1 more source

BPS and non-BPS states in a supersymmetric Landau-Ginzburg theory [PDF]

open access: yes, 2002
We analyze the spectrum of the N=(2,2) supersymmetric Landau-Ginzburg theory in two dimensions with superpotential W=X^{n+2}-lambda X^2. We find the full BPS spectrum of this theory by exploiting the direct connection between the UV and IR limits of the ...
A. Tirziu   +13 more
core   +3 more sources

Ideal Molecular Sieving with a Dense MOF for Helium Upgrading with Highly Diffusion Selective Mixed Matrix Membranes

open access: yesAdvanced Functional Materials, EarlyView.
The separation of Helium gas from natural gas is challenging but highly important. MIL‐116(Ga), a “non‐porous” metal–organic framework is used as a molecular sieve to separate He from CH4. Druse‐like MIL‐116(Ga) particles are integrated into polysulfone mixed matrix membranes.
Ayisha Komal   +10 more
wiley   +1 more source

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