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Articles 1 - 8 of 8
Full-Text Articles in Physical Sciences and Mathematics
High- Accuracy Quartic Force Field Calculations For The Spectroscopic Constants And Vibrational Frequencies Of 11A′ L-C3H-: A Possible Link To Lines Observed In The Horsehead Nebula Pdr, Ryan C. Fortenberry, Xinchuan Huang, T. D. Crawford, Timothy J. Lee
High- Accuracy Quartic Force Field Calculations For The Spectroscopic Constants And Vibrational Frequencies Of 11A′ L-C3H-: A Possible Link To Lines Observed In The Horsehead Nebula Pdr, Ryan C. Fortenberry, Xinchuan Huang, T. D. Crawford, Timothy J. Lee
Ryan C. Fortenberry
It has been shown that rotational lines observed in the Horsehead nebula photodissociation region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 11 A' C3H–. The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar …
Spectroscopic Constants And Vibrational Frequencies For L-C3H+ And Isotopologues From HighlyAccurate Quartic Force Fields: The Detection Of L-C3H+ In The Horsehead Nebula Pdr Questione, Xinchuan Huang, Ryan C. Fortenberry, Timothy J. Lee
Spectroscopic Constants And Vibrational Frequencies For L-C3H+ And Isotopologues From HighlyAccurate Quartic Force Fields: The Detection Of L-C3H+ In The Horsehead Nebula Pdr Questione, Xinchuan Huang, Ryan C. Fortenberry, Timothy J. Lee
Ryan C. Fortenberry
Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C3H+. In an effort to corroborate this finding, we employed state-of-the-art and proven high-accuracy quantum chemical techniques to compute spectroscopic constants for this cation and its isotopologues. Even though the B rotational constant from the fit of the observed spectrum and our computations agree to within 20 MHz, a typical level of accuracy, the D rotational constant differs by more than 40%, while the H rotational constant differs by three orders of magnitude. With the likely errors in …
Singlet Excited States Of Anions With Higher Main Group Elements, Ryan C. Fortenberry
Singlet Excited States Of Anions With Higher Main Group Elements, Ryan C. Fortenberry
Ryan C. Fortenberry
Previous studies have shown that dipole-bound excited states exist for certain small anions. However, valence excited states have been reported for some closed-shell anions, but those with singlet valence excited states have, thus far, contained a single silicon atom. This work uses high-level coupled cluster theory previously shown to reproduce excited state energies to better than 0.1 eV compared with experiment in order to examine the electronic excited state properties of anions containing silicon and other higher main group atoms as well as their first row analogues. Of the 14 anions involved in this study, 9 possess bound excited states …
Theoretical Electronic And Rovibrational Studies For Anions Of Interest To The Dibs, Ryan C. Fortenberry
Theoretical Electronic And Rovibrational Studies For Anions Of Interest To The Dibs, Ryan C. Fortenberry
Ryan C. Fortenberry
The dipole-bound excited state of the methylene nitrile anion (CH2CN−) has been suggested as a candidate carrier for a diffuse interstellar band (DIB) at 803.8 nm. Its corresponding radical has been detected in the interstellar medium (ISM), making the existence for the anion possible. This work applies state-of-the-art ab initio methods such as coupled cluster theory to reproduce accurately the electronic excitations for CH2CN− and the similar methylene enolate anion, CH2CHO−. This same approach has been employed to indicate that 19 other anions may possess electronically excited states, five of which are valence in nature. Concurrently, in order to assist …
Electron Correlation Effects And Spin Contamination In Electronically Excited States Of Interstellar Radicals, Ryan C. Fortenberry
Electron Correlation Effects And Spin Contamination In Electronically Excited States Of Interstellar Radicals, Ryan C. Fortenberry
Ryan C. Fortenberry
No abstract provided.
Theoretical And Computational Studies Of Interstellar C2nH And Sic2m+1H, Ryan C. Fortenberry
Theoretical And Computational Studies Of Interstellar C2nH And Sic2m+1H, Ryan C. Fortenberry
Ryan C. Fortenberry
This work focuses on computation of simulated spectra the C2nH family (n = f1, 2, : : :g) of carbon chain rad- ical molecules and their silicon analogues, SiC2m+1H (m = f0, ng), that are potential carriers of the Di_use Interstellar Bands (DIBs). High-level quantum chem- ical computations for the ground- and excited-states of these radicals indicate agreement with experimen- tal data that the ground-state of C2H is 2Ʃ+ while that of C6H, SiCH, SiC3H, and SiC5H is 2π. On the other hand, most of …
Argus: A New Frontiers Mission Proposal To Observe Io, Ryan C. Fortenberry
Argus: A New Frontiers Mission Proposal To Observe Io, Ryan C. Fortenberry
Ryan C. Fortenberry
The Argus mission will obtain breakthrough level science advances by investigating Jupiter's innermost Galilean moon Io as outlined in the 2008 National Academies Report on choices for the next New Frontiers Announcement of Opportunity. Io has the greatest amount of volcanic activity of any planetary body in the solar system and provides a great location for studying this fundamental planetary process. The surface of Io is rich in sulfur and sulfur dioxide frost however is not as icy as other moons of the outer planets. The orbit of Io has a 2:1 orbital resonance with Jupiter's next Galilean moon Europa …
Uv Spectroscopy Of Interstellar Radicals, Ryan C. Fortenberry
Uv Spectroscopy Of Interstellar Radicals, Ryan C. Fortenberry
Ryan C. Fortenberry
No abstract provided.