Results 91 to 100 of about 3,702 (221)

Exploring the Scaling Factors for Infrared Modes of PANHs – A Case Study on Cationic 3‐Azafluoranthene⋅+ and Protonated 3‐Azafluoranthene**

ChemPhysChem, Volume 25, Issue 16, August 19, 2024.
The infrared spectra of the 3‐azafluoranthene radical cation and protonated 3‐azafluranthene have been recorded. Simulations show that vibrations with nitrogen contribution should be scaled differently than carbon‐based vibrations. Abstract Infrared (IR) emission bands by interstellar polycyclic aromatic hydrocarbons (PAHs) and polycyclic aromatic ...
Domenik Schleier, Jerry Kamer, Jonathan Martens, Giel Berden, Jos Oomens, Jordy Bouwman   +5 more
wiley   +1 more source

Single‐Step Control of Liquid–Liquid Crystalline Phase Separation by Depletion Gradients

Advanced Materials, Volume 36, Issue 28, July 11, 2024.
Different sizes of nanoparticles with concentration gradients control the liquid–liquid crystalline phase separation (LLCPS) speed and induce different morphologies of tactoids with positional order. Nanoparticles can be templated by LLCPS via size selectivity effects inside and on the surface of tactoids, enabling unprecedented spatial ...
Dongdong Lin, Massimo Bagnani, Hamed Almohammadi, Ye Yuan, Yufen Zhao, Raffaele Mezzenga   +5 more
wiley   +1 more source

Data-Driven Astrochemistry: One Step Further within the Origin of Life Puzzle

Life, 2018
Astrochemistry, meteoritics and chemical analytics represent a manifold scientific field, including various disciplines. In this review, clarifications on astrochemistry, comet chemistry, laboratory astrophysics and meteoritic research with respect to ...
Alexander Ruf, Louis L. S. d’Hendecourt, Philippe Schmitt-Kopplin   +2 more
doaj   +1 more source

Irradiation Investigation: Exploring the Molecular Gas in NGC 7293

Galaxies, 2020
Background: Many planetary nebulae retain significant quantities of molecular gas and dust despite their signature hostile radiation environments and energetic shocks.
Jesse Bublitz, Joel Kastner, Pierre Hily-Blant, Thierry Forveille, Miguel Santander-García, Valentin Bujarrabal, Javier Alcolea, Rodolfo Montez   +7 more
doaj   +1 more source

Astrochemistry: Synthesis and Modelling [PDF]

In the book "Astrochemistry and Astropbiology", edited by Ian W. M. Smith, Charles S. Cockell and Sydney Leach, Publisher: Springer; 2013 edition (October 27, 2012), 2013
We discuss models that astrochemists have developed to study the chemical composition of the interstellar medium. These models aim at computing the evolution of the chemical composition of a mixture of gas and dust under as- trophysical conditions. These conditions, as well as the geometry and the physical dynamics, have to be adapted to the objects ...
arxiv  

Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches

Journal of Computational Chemistry, Volume 45, Issue 16, Page 1352-1363, June 15, 2024.
Infrared spectra for trans‐3‐aminophenol obtained with VCIPSI‐PT2 frequencies with ccCA and B3LYP/aug‐cc‐pVTZ potentials and scaled B3LYP/cc‐pVTZ harmonic frequencies, in comparison to experiment. ccCA anharmonic frequencies are in very good agreement with experiment.
Prajay Patel, Joseph Chung, Max Aksel Bowman, Inga Ulusoy, Angela K. Wilson   +4 more
wiley   +1 more source

Infrared Band Strengths and Other Properties of Three Interstellar Compounds—Amorphous Isocyanic Acid, Formaldehyde, and Formic Acid

The Astrophysical Journal
Infrared (IR) spectral features of interstellar and solar system ices have been attributed to solid organic and inorganic compounds for over 50 yr, but in many cases the laboratory IR data needed to fully quantify such work have never been published ...
Reggie L. Hudson, Yukiko Y. Yarnall, Perry A. Gerakines   +2 more
doaj   +1 more source

Mechanisms of interstellar synthesis of glycine, alanine, and serine from aminonitriles, OH, and H2O

Bulletin of the Korean Chemical Society, Volume 45, Issue 6, Page 520-525, June 2024.
Barrierless pathways for the formation of glycine, alanine, and serine from aminonitriles, OH, and H2O with catalytic H2O were obtained using CBS‐QB3 calculation, suggesting possible occurrence of the thermal reactions in interstellar ices. Abstract A new potential energy surface for forming glycine in the gas phase, starting from association of ...
Joong Chul Choe
wiley   +1 more source

The Cyanoketenyl Anion [NC3O]−

Angewandte Chemie, Volume 136, Issue 20, May 13, 2024.
The synthesis and gram‐scale isolation of the elusive cyanoketenyl anion [NC3O]− is reported. Despite its cumulene‐like structure, it exhibits a bent geometry in the solid state, which is also confirmed by computational studies. The cyanoketenyl anion readily reacts with a series of small molecules such as CO2, H2O or NH3 to form more complex organic ...
Felix Krischer, Varre S. V. S. N. Swamy, Kai‐Stephan Feichtner, Robert J. Ward, Viktoria H. Gessner   +4 more
wiley   +1 more source

Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N2 Inelastic Processes Within an Open Molecular Science Cloud Perspective

Frontiers in Chemistry, 2019
A full dimensional Potential Energy Surface (PES) of the CO + N2 system has been generated by extending an approach already reported in the literature and applied to N2-N2 (Cappelletti et al., 2008), CO2-CO2 (Bartolomei et al., 2012), and CO2-N2 ...
Andrea Lombardi, Andrea Lombardi, Fernando Pirani, Massimiliano Bartolomei, Cecilia Coletti, Antonio Laganà, Antonio Laganà, Antonio Laganà   +7 more
doaj   +1 more source