Results 71 to 80 of about 11,084 (265)

ASTROCHEMISTRY OF STAR FORMATION

Odessa Astronomical Publications, 2013
Star formation is one of the key pro­cesses governing the evolution of the Universe. It is ac­companied by significant transformations in the chem­ical composition and the physical state of the inter­stellar medium. Combining observations in infrared and
D. S. Wiebe, O. V. Kochina
doaj   +1 more source

Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate

Nature Communications, 2020
Metastable cubic ice has been identified in several conditions relevant to geo and astrochemistry, but was always characterized by stacking disorder. Here the authors synthesize a hydrogen hydrate and degas hydrogen, obtaining pure non-defected cubic ice,
Kazuki Komatsu, Shinichi Machida, Fumiya Noritake, Takanori Hattori, Asami Sano-Furukawa, Ryo Yamane, Keishiro Yamashita, Hiroyuki Kagi   +7 more
doaj   +1 more source

Data for Photodissociation of Some Small Molecular Ions Relevant for Astrochemistry and Laboratory Investigation

Data, 2022
The calculated photodissociation data of some small molecular ions have been reported. The cross-sections and spectral rate coefficients data have been studied using a quantum mechanical method. The plasma parameters, i.e., conditions, cover temperatures
Vladimir A. Srećković, Ljubinko M. Ignjatović, Aleksandra Kolarski, Zoran R. Mijić, Milan S. Dimitrijević, Veljko Vujčić   +5 more
doaj   +1 more source

Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons

, 2007
The van der Waals dispersion coefficients of a set of polycyclic aromatic hydrocarbons, ranging in size from the single-cycle benzene to circumovalene (C66H20), are calculated with a real-time propagation approach to time-dependent density functional ...
Alberto Castro, Flower D. R., Giacomo Mulas, Giuliano Malloci, London F., Mahanty J., Miguel A. L. Marques, Parsegian V. A., Siegel G. J., Silvana Botti   +9 more
core   +3 more sources

The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations [PDF]

, 2013
It is hypothesized that the A ^1B_1
Crawford, T. Daniel, Fortenberry, Ryan C., Lee, Timothy J.   +2 more
core   +3 more sources

Astrochemistry: Synthesis and Modelling [PDF]

, 2012
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 ...
Wakelam, Valentine, Herma M., Cuppen, Eric, Herbst   +2 more
openaire   +4 more sources

From Molecular Bricks to Sustainable Nanomaterials: An Accurate and Scalable Unsupervised Workflow

Small Structures, Volume 7, Issue 1, January 2026.
An adaptive accuracy framework integrates Pisa Composite Schemes with the Nano‐LEGO platform for data‐driven molecular design. Molecular fragments validated through explicitly correlated and bond‐corrected DFT models enable scalable prediction of structural and spectroscopic properties.
Federico Lazzari, Luigi Crisci, Vincenzo Barone   +2 more
wiley   +1 more source

Infrared Spectra of Solid HCN Embedded in Various Molecular Environments for Comparison with the Data Obtained with JWST

The Astrophysical Journal Letters
Hydrogen cyanide (HCN) molecules serve as an important tracer for the chemical evolution of elemental nitrogen in the regions of star and planet formation.
Maksim Ozhiganov, Mikhail Medvedev, Varvara Karteyeva, Ruslan Nakibov, Uliana Sapunova, Vadim Krushinsky, Ksenia Stepanova, Anastasia Tryastsina, Aleksandr Gorkovenko, Gleb Fedoseev, Anton Vasyunin   +10 more
doaj   +1 more source

HC_nH⁻ Anion Chains with n ≤ 8 Are Nonlinear and Their Permanent Dipole Makes Them Potential Candidates for Astronomical Observation

Molecules, 2022
To be detectable in space via radio astronomy, molecules should have a permanent dipole moment. This is the plausible reason why HCnH chains are underproportionally represented in the interstellar medium in comparison with the isoelectronically ...
Ioan Bâldea
doaj   +1 more source

First astronomical detection of the CF+ ion

, 2005
We report the first astronomical detection of the CF+ (fluoromethylidynium) ion obtained by recent observations of its J = 1 - 0 (102.6 GHz), J = 2 - 1 (205.2 GHz), and J = 3 - 2 (307.7 GHz) pure rotational emissions toward the Orion Bar.
D. A. Neufeld, D. C. Lis, E. Herbst, F. Schuller, G. A. Blake, H. Müller, J. H. Black, K. M. Menten, M. G. Wolfire, P. Schilke, R. Güsten, S. Thorwirth   +11 more
core   +2 more sources