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Insights into Hypermetallic Molecules En Route to Multiple Optical Cycling Centers: Thermodynamic and Spectroscopic Trends in Mg and Ca Bearing Acetylides
Ella Brudner, Tomer Gur, Nadav Genossar-Dan, P. Bryan Changala, Michael C. McCarthy, John F. Stanton and Joshua H. Baraban The Journal of Physical Chemistry A (2025) https://doi.org/10.1021/acs.jpca.5c03484
Selective formation and spectroscopic characterization of the H2CCS•+ radical cation via dissociative ionization of thiophene
Jake A. Diprose, Kim Steenbakkers, Matteo Michielan, Miroslav Polášek, Daniela Ascenzi, Sandra Brünken, Claire Romanzin, Brianna R. Heazlewood and Vincent Richardson The Journal of Chemical Physics 162(16) (2025) https://doi.org/10.1063/5.0260839
New routes for PN destruction and formation in the interstellar medium via neutral-neutral gas-phase reactions and an extended database for reactions involving phosphorus
Mateus X. Silva, Edgar Mendoza, Fábio S. L. Ferreira, Alexandre C. R. Gomes, Miguel Carvajal, Jing Li, António J. C. Varandas and Breno R. L. Galvão Astronomy & Astrophysics 696 A170 (2025) https://doi.org/10.1051/0004-6361/202453204
Rotational excitation and de-excitation of magnesium mono-sulphide (MgS) by He collisions
Hamza Hendaoui, A J C Varandas and Bilel Mehnen Monthly Notices of the Royal Astronomical Society 537(4) 3091 (2025) https://doi.org/10.1093/mnras/staf186
Deciphering Mg‐Surface Interactions with Unsaturated Hydrocarbons: An Integrated Experimental‐Theoretical Study
Isomerisation of phosphabutyne and a photochemical route to phosphabutadiyne (HC3P), a phosphorus analogue of cyanoacetylene
Arun-Libertsen Lawzer, Elavenil Ganesan, Thomas Custer, Jean-Claude Guillemin and Robert Kołos Physical Chemistry Chemical Physics 27(15) 7556 (2025) https://doi.org/10.1039/D4CP04182H
Linear or Cyclic? Theoretical Investigation of Astrophysically Relevant Magnesium‐Bearing MgCnH Carbon Chains and Related Isomers
A. Karolyna M. S. Gomes, Ricardo R. Oliveira, Thiago M. Cardozo and Felipe Fantuzzi Journal of Computational Chemistry 46(2) (2025) https://doi.org/10.1002/jcc.70031
Search for Chirality in Hydrogenated Magnesium Nanosilicates: A DFT and TD-DFT Investigation
A computational and spectroscopic study of MgCCH (X
2
Σ
+
): towards characterizing MgCCH
+
Joseph E. Burns, Qianyi Cheng, Ryan C. Fortenberry, Ming Sun, Lindsay N. Zack, Trishal Zaveri, Nathan J. DeYonker and Lucy M. Ziurys Molecular Physics 122(7-8) (2024) https://doi.org/10.1080/00268976.2023.2267135
Laboratory rotational spectroscopy of the magnesium-carbon chains MgC4H and MgC3N
P. Bryan Changala, Nadav Genossar-Dan, Joshua H. Baraban and Michael C. McCarthy Journal of Molecular Spectroscopy 401 111904 (2024) https://doi.org/10.1016/j.jms.2024.111904
New rotational rate coefficients computation of MgC3N(X2Σ+) by collision with He(1S)
L Hachani, F Khadri, N Jaïdane, H Elabidi and K Hammami Monthly Notices of the Royal Astronomical Society 529(4) 4130 (2024) https://doi.org/10.1093/mnras/stae557
Energetic and Spectroscopic Properties of Astrophysically Relevant MgC4H Radicals Using High-Level Ab Initio Calculations
Tarun Roy, Sayon Satpati, Aland Sinjari, Anakuthil Anoop, Venkatesan S. Thimmakondu and Subhas Ghosal The Journal of Physical Chemistry A 128(8) 1466 (2024) https://doi.org/10.1021/acs.jpca.3c06828
Discovery of MgS and NaS in the Interstellar Medium and Tentative Detection of CaO
Marta Rey-Montejo, Izaskun Jiménez-Serra, Jesús Martín-Pintado, Víctor M. Rivilla, Andrés Megías, David San Andrés, Miguel Sanz-Novo, Laura Colzi, Shaoshan Zeng, Álvaro López-Gallifa, Antonio Martínez-Henares, Sergio Martín, Belén Tercero, Pablo de Vicente and Miguel Requena-Torres The Astrophysical Journal 975(2) 174 (2024) https://doi.org/10.3847/1538-4357/ad736e
FeC4H2: A Potential Astrophysical Molecule Featuring Planar Tetracoordinate Iron to Unveil the Mystery of Missing Iron in Interstellar Medium
A λ 3 mm Line Survey toward the Circumstellar Envelope of the Carbon-rich AGB Star IRC+10216 (CW Leo)
Juan Tuo, Xiaohu Li, Jixian Sun, Tom J. Millar, Yong Zhang, Jianjie Qiu, Donghui Quan, Jarken Esimbek, Jianjun Zhou, Yu Gao, Qiang Chang, Lin Xiao, Yanan Feng, Zhenzhen Miao, Rong Ma, Ryszard Szczerba and Xuan Fang The Astrophysical Journal Supplement Series 271(2) 45 (2024) https://doi.org/10.3847/1538-4365/ad2460
Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations
Juan García de la Concepción, Carlo Cavallotti, Vincenzo Barone, Cristina Puzzarini and Izaskun Jiménez-Serra The Astrophysical Journal 963(2) 142 (2024) https://doi.org/10.3847/1538-4357/ad1ffa
On the Spectroscopy of Phosphaalkynes: Millimeter- and Submillimeter-Wave Study of C2H5CP
Luis Bonah, Stephan Schlemmer, Jean-Claude Guillemin, Michael E. Harding and Sven Thorwirth The Journal of Physical Chemistry A 128(24) 4859 (2024) https://doi.org/10.1021/acs.jpca.4c02566
Theoretical Rotational and Vibrational Spectral Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+
Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum
Puthannur K. Anjalikrishna, Shridhar R. Gadre and Cherumuttathu H. Suresh Physical Chemistry Chemical Physics 25(37) 25191 (2023) https://doi.org/10.1039/D3CP03268J
NCCP collisions with para-H2: Accurate potential energy surface and quantum dynamics at interstellar temperatures
Theoretical investigation of the structures, stabilities, and vibrational and rotational spectroscopic parameters of linear HOMgNC and HMgNCO molecules by density functional theory and coupled-cluster method
Theoretical Rovibrational Spectroscopy of Magnesium Tricarbide–Multireference Character Thwarts a Full Analysis of All Isomers
Donatus A. Agbaglo, Qianyi Cheng, Ryan C. Fortenberry, John F. Stanton and Nathan J. DeYonker The Journal of Physical Chemistry A 126(26) 4132 (2022) https://doi.org/10.1021/acs.jpca.2c01340
Interrelations Between Astrochemistry and Galactic Dynamics
The excitation of CNCN in the interstellar medium: hyperfine resolved rate coefficients and non-LTE modelling
D Ndaw, C T Bop, G Dieye, N A Boye Faye and F Lique Monthly Notices of the Royal Astronomical Society 503(4) 5976 (2021) https://doi.org/10.1093/mnras/stab775
On the formation and spectral signatures of magnesacyclopropene (c-MgC2H2)
Kimberley N. Poland, C. Zachary Palmer, Ava Chard, Steven R. Davis and Ryan C. Fortenberry Journal of Molecular Spectroscopy 382 111514 (2021) https://doi.org/10.1016/j.jms.2021.111514
Precise equilibrium structure determination of thiophene (c-C4H4S) by rotational spectroscopy—Structure of a five-membered heterocycle containing a third-row atom
Vanessa L. Orr, Yotaro Ichikawa, Aatmik R. Patel, Samuel M. Kougias, Kaori Kobayashi, John F. Stanton, Brian J. Esselman, R. Claude Woods and Robert J. McMahon The Journal of Chemical Physics 154(24) (2021) https://doi.org/10.1063/5.0055267
Silicon and Hydrogen Chemistry under Laboratory Conditions Mimicking the Atmosphere of Evolved Stars
Mario Accolla, Gonzalo Santoro, Pablo Merino, Lidia Martínez, Guillermo Tajuelo-Castilla, Luis Vázquez, Jesús M. Sobrado, Marcelino Agúndez, Miguel Jiménez-Redondo, Víctor J. Herrero, Isabel Tanarro, José Cernicharo and José Ángel Martín-Gago The Astrophysical Journal 906(1) 44 (2021) https://doi.org/10.3847/1538-4357/abc703
Experimental and quantum-chemical characterization of heavy carbon subchalcogenides: Infrared detection of SeC3Se
Thomas Salomon, John B. Dudek, Yury Chernyak, Jürgen Gauss and Sven Thorwirth Journal of Molecular Spectroscopy 378 111456 (2021) https://doi.org/10.1016/j.jms.2021.111456
Inelastic scattering of interstellar silyl cyanide (SiH3CN) by helium atoms : cross-sections and rate coefficients for A- and E-SiH3CN
Manel Naouai, Abdelhak Jrad, Ayda Badri and Faouzi Najar Monthly Notices of the Royal Astronomical Society 507(4) 5264 (2021) https://doi.org/10.1093/mnras/stab2451
Profiling astrophysically relevant MgC4H chains. An attempt to aid astronomical observations
Detectable interstellar anions: Examining the key factors
Emmanuel E. Etim, Prasanta Gorai, Rana Ghosh and Ankan Das Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 230 118011 (2020) https://doi.org/10.1016/j.saa.2019.118011
MgC6H2 Isomers: Potential Candidates for Laboratory and Radioastronomical Studies
Aditya P. Pandey, Uday Kumar Padidela, Loganathan Konda Thulasiraman, et al. The Journal of Physical Chemistry A 124(37) 7518 (2020) https://doi.org/10.1021/acs.jpca.0c06401
Gas-phase spectroscopic characterization of neutral and ionic polycyclic aromatic phosphorus heterocycles (PAPHs)
Ricardo R Oliveira, Germán Molpeceres, Felipe Fantuzzi, et al. Monthly Notices of the Royal Astronomical Society 500(2) 2564 (2020) https://doi.org/10.1093/mnras/staa3460
H2SiO IRASERs in a warm region in interstellar medium
HCnN anions in the ISM: exploring their existence and new paths to anionic carbonitriles for n = 3, 5
Stanka V. Jerosimić, Roland Wester and Franco A. Gianturco Physical Chemistry Chemical Physics 21(21) 11405 (2019) https://doi.org/10.1039/C9CP00877B
A matrix isolation ESR investigation of the MgCH radical
Thomas S. Hearne, Emmanuel Karakyriakos, Cara L. Dunford, Marcus Kettner, Duncan A. Wild and Allan J. McKinley The Journal of Chemical Physics 151(12) (2019) https://doi.org/10.1063/1.5119146
Alternation of Singlet and Triplet States in Carbon‐Based Chain Molecules and Its Astrochemical Implications: Results of an Extensive Theoretical Study
Rotational (de-)excitation of isocyanogen by collision with helium at low energies
D. Ben Abdallah, M. Mogren Al Mogren, S. Dhaif Allah Al Harbi and M. Hochlaf The Journal of Chemical Physics 149(6) (2018) https://doi.org/10.1063/1.5043481