Results 101 to 110 of about 10,194 (274)

MOLECULAR SPECIES AND DATA RELEVANT FOR ASTROCHEMISTRY

BOOK OF ABSTRACTS: XIV Serbian-Bulgarian Astronomical Conference
Atomic and molecular collisional and radiative processes are crucial for understanding the different environments within our universe (Albert et al. 2020).
V. A. Srećković, S. Tošić, V. Vujčić, Darko Jevremović   +3 more
semanticscholar   +1 more source

PREBIOTIC ASTROCHEMISTRY IN THE "THz-GAP" [PDF]

Proceedings of the 2021 International Symposium on Molecular Spectroscopy, 2020
Fundamental biological molecules such as amino acids and sugars have been discovered in meteorites, but none of these species have yet been definitively detected in the interstellar medium (ISM). While both the number of detected interstellar molecules and their chemical complexity continue to increase, understanding of the processes leading to their ...
openaire   +3 more sources

Harmonic Scale Factors of Fundamental Transitions for Dispersion‐corrected Quantum Chemical Methods

ChemPhysChem, Volume 25, Issue 23, December 2, 2024.
This study presents two new sets of scaling factors for adjusting theoretical harmonic vibrational spectra computed using dispersion‐corrected density functional theory methods to better match experimental data. The first set (absolute scaling) better aligns with higher frequencies, while the second one (relative scaling) evenly reduces errors across ...
Denis S. Tikhonov, Igor Gordiy, Danila A. Iakovlev, Alisa A. Gorislav, Mikhail A. Kalinin, Sergei A. Nikolenko, Ksenia M. Malaskeevich, Karina Yureva, Nikita A. Matsokin, Melanie Schnell   +9 more
wiley   +1 more source

Astrochemical Pathways to Complex Organic and Prebiotic Molecules: Experimental Perspectives for In Situ Solid-State Studies

Life, 2021
A deep understanding of the origin of life requires the physical, chemical, and biological study of prebiotic systems and the comprehension of the mechanisms underlying their evolutionary steps.
Daniele Fulvio, Alexey Potapov, Jiao He, Thomas Henning   +3 more
doaj   +1 more source

A Unified Monte Carlo Treatment of Gas-Grain Chemistry for Large Reaction Networks. I. Testing Validity of Rate Equations in Molecular Clouds

, 2008
In this study we demonstrate for the first time that the unified Monte Carlo approach can be applied to model gas-grain chemistry in large reaction networks.
A. I. Vasyunin, Aikawa, Barzel, Biham, Boger, Caselli, Cazaux, Charnley, Charnley, Cuppen, D. A. Semenov, D. S. Wiebe, Hassel, Katz, Lee, Lee, Perets, Pirronello, Pirronello, Pirronello, Shalabiea, Th. Henning, Tielens, Vasyunin   +23 more
core   +1 more source

Molecular Astrophysics & Astrochemistry

, 2019
Many of the facilities and missions that Canada is or will be involved in as well as the diverse science programs that drive these missions rely on the astronomical detection and characterization of atomic and molecular gas as well as dust grains across the electromagnetic spectrum.
Cami, Jan, Peeters, Els, Houde, Martin, Mandy, Margot, Plume, Rene, Johnstone, Doug, van der Marel, Nienke, Sadavoy, Sarah, Hill, Alex   +8 more
openaire   +3 more sources

Exploring the Growth Dynamics of Size‐Selected Carbon Atomic Wires with In Situ UV Resonance Raman Spectroscopy

Small, Volume 20, Issue 49, December 5, 2024.
Time‐resolved, in situ UV resonance Raman approach to monitor carbon atomic wires growth via pulsed laser ablation in liquid. This approach tracks solvent‐dependent, size‐selected wires formation, correlating their Raman responses with concentration as a function of ablation time.
Pietro Marabotti, Sonia Peggiani, Simone Melesi, Barbara Rossi, Alessandro Gessini, Andrea Li Bassi, Valeria Russo, Carlo Spartaco Casari   +7 more
wiley   +1 more source

A hybrid moment equation approach to gas-grain chemical modeling [PDF]

, 2011
[Context] The stochasticity of grain chemistry requires special care in modeling. Previously methods based on the modified rate equation, the master equation, the moment equation, and Monte Carlo simulations have been used. [Aims] We attempt to develop a
Awad, B. Parise, Barzel, Barzel, Barzel, Biham, Biham, Caselli, Chang, Charnley, Charnley, Charnley, Charnley, Cuppen, F. Du, Garrod, Garrod, Garrod, Gillespie, Gillespie, Gillespie, Gillespie, Green, Hasegawa, Hasegawa, Lipshtat, Mattis, McQuarrie, Menten, Ohkubo, Rae, Stantcheva, Stantcheva, Stantcheva, Tielens, Tielens, Vasyunin, Vasyunin, Woodall   +38 more
core   +2 more sources

Atlas of Cosmic-Ray-induced Astrochemistry [PDF]

The Astrophysical Journal, 2018
Abstract Cosmic rays are the primary initiators of interstellar chemistry, and getting a better understanding of the varying impact they have on the chemistry of interstellar clouds throughout the Milky Way will not only expand our understanding of interstellar medium chemistry in our own galaxy, but also aid in extra-galactic studies ...
Tobias Albertsson, Jens Kauffmann, Karl M. Menten   +2 more
openaire   +3 more sources

Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations

ChemPhysChem, Volume 25, Issue 21, November 4, 2024.
Nonadiabatic molecular dynamics simulations (trajectory surface hopping at the semiempirical configuration interaction singles and doubles level) predict faster internal conversion in the amantadine cation than in the cyanoadamantane cation despite a larger initial energy gap for the former.
Bonasree Roy, Evgenii Titov, Peter Saalfrank   +2 more
wiley   +1 more source