Results 41 to 50 of about 9,417 (235)

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

Effects of turbulent dust grain motion to interstellar chemistry

, 2015
Theoretical studies have revealed that dust grains are usually moving fast through the turbulent interstellar gas, which could have significant effects upon interstellar chemistry by modifying grain accretion.
Ge, J. X., He, J. H., Yan, H. R.
core   +1 more source

Aromatic Hydrocarbons, Diamonds, and Fullerenes in Interstellar Space: Puzzles to be Solved by Laboratory and Theoretical Astrochemistry [PDF]

, 2000
New research is presented, and previous research is reviewed, on the emission and absorption of interstellar aromatic hydrocarbons. Emission from aromatic hydrocarbons dominate the mid-infrared emission of many galaxies, including our own Milky Way ...
Allamandola, Allamandola, Allamandola, Allamandola, Anders, Andriesse, Bakes, Bakes, Becker, Beintema, Bettens, Blanco, Borghesi, Boulanger, Brooke, Brooke, Cesarsky, Cesarsky, Chiar, Chiar, Cohen, Cohen, Cohen, Cook, Dartois, de Frees, Draine, Duley, Duley, Foing, Foing, Fulara, Gillett, Goeres, Graham, Harvey, Herbig, Heymann, Hudgins, Hudgins, Joblin, K. Sellgren, Kroto, Kroto, Langhoff, Lewis, Léger, Mattila, Merrill, Moutou, Onaka, Oudmaijer, Papoular, Pauzat, Pauzat, Pendleton, Platt, Puget, Puget, Roche, Roche, Russell, Sakata, Sakata, Salama, Salama, Schutte, Schutte, Scott, Sellgren, Sellgren, Sellgren, Sellgren, Sellgren, Sellgren, Sellgren, Sellgren, Snow, Somerville, Szczepanski, Uchida, Uchida, Whitcomb   +82 more
core   +2 more sources

Charge State Influence on Stability and Isomerism in Dehydrogenated PAHs: Insights from Anthracene, Acridine, and Phenazine

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The ionization of anthracene, acridine, and phenazine has been explored, along with the removal of one and two hydrogen atoms, to provide valuable information for astrochemists and to understand the behavior of the resulting structures and their electronic reorganization. Abstract In this study, we systematically explored the stability and isomerism of
Khaldia Zghida, Farouk Hamza Reguig, Manuel Alcamí, Al Mokhtar Lamsabhi   +3 more
wiley   +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

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

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

Small Structures, EarlyView.
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

Quantum chemical calculations of lupeol (C30H50O) isolated from the ethyl acetate leaf extracts of Justicia Secunda

Journal of Nigerian Society of Physical Sciences
The discovery of lupeol, a triterpenoid compound (C30H50O), in the ethyl acetate leaf extract of Justicia secunda (Blood root), has opened doors to extensive research and development opportunities in natural product-based pharmaceuticals.
B. Bako, E. E. Etim, J. P. Shinggu, S. S. Humphrey, L. J. Moses, M. E. Khan   +5 more
doaj   +1 more source

Spectral Signatures of Hydrogen Thioperoxide (HOSH) and Hydrogen Persulfide (HSSH): Possible Molecular Sulfur Sinks in the Dense ISM

Molecules, 2022
For decades, sulfur has remained underdetected in molecular form within the dense interstellar medium (ISM), and somewhere a molecular sulfur sink exists where it may be hiding. With the discovery of hydrogen peroxide (HOOH) in the ISM in 2011, a natural
Charles Z. Palmer, Ryan C. Fortenberry, Joseph S. Francisco   +2 more
doaj   +1 more source