| Year |
Citation |
Score |
| 2024 |
Esposito VJ, Ferrari P, Buma WJ, Fortenberry RC, Boersma C, Candian A, Tielens AGGM. The infrared absorption spectrum of phenylacetylene and its deuterated isotopologue in the mid- to far-IR. The Journal of Chemical Physics. 160. PMID 38501470 DOI: 10.1063/5.0191404 |
0.339 |
|
| 2024 |
Watrous AG, Davis MC, Fortenberry RC. Performance of EOM-CCSD(T)(a)*-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to the ″ State of :CCH (Vinylidene). The Journal of Physical Chemistry. A. 128: 2150-2161. PMID 38466814 DOI: 10.1021/acs.jpca.3c08168 |
0.421 |
|
| 2024 |
Garrett NR, Davis MC, Fortenberry RC. DFT + F12 QFFs for Cost-Effective Rovibrational Spectral Data Predictions of Ground and Excited Electronic States. Journal of Chemical Theory and Computation. PMID 38230913 DOI: 10.1021/acs.jctc.3c01179 |
0.389 |
|
| 2023 |
Esposito VJ, Palmer CZ, Fortenberry RC, Francisco JS. Spectroscopy and Photochemistry of OAlNO and Implications for New Metal Chemistry in the Atmosphere. The Journal of Physical Chemistry. A. PMID 37647609 DOI: 10.1021/acs.jpca.3c04437 |
0.498 |
|
| 2023 |
Harwick OA, Fortenberry RC. Spectroscopic Constants and Anharmonic Vibrational Frequencies of C(O)OC, c-CO and Their Silicon-Containing Analogues. Molecules (Basel, Switzerland). 28. PMID 37299037 DOI: 10.3390/molecules28114563 |
0.337 |
|
| 2023 |
Davis MC, Garrett NR, Fortenberry RC. F12+EOM Quartic Force Fields for Rovibrational Predictions of Electronically Excited States. The Journal of Physical Chemistry. A. PMID 37235692 DOI: 10.1021/acs.jpca.3c00072 |
0.326 |
|
| 2023 |
Santaloci TJ, Fortenberry RC. Electronically excited states of closed-shell azabenzene and purine anion structures: Is 2 D enough for dipole-bound excited states? The Journal of Chemical Physics. 158: 124302. PMID 37003736 DOI: 10.1063/5.0141385 |
0.301 |
|
| 2023 |
Davis MC, Huang X, Fortenberry RC. Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations. Molecules (Basel, Switzerland). 28. PMID 36838769 DOI: 10.3390/molecules28041782 |
0.631 |
|
| 2022 |
Davis MC, Garrett NR, Fortenberry RC. Confirmation of gaseous methanediol from state-of-the-art theoretical rovibrational characterization. Physical Chemistry Chemical Physics : Pccp. 24: 18552-18558. PMID 35904881 DOI: 10.1039/d2cp02076a |
0.409 |
|
| 2022 |
Agbaglo DA, Cheng Q, Fortenberry RC, Stanton JF, DeYonker NJ. Theoretical Rovibrational Spectroscopy of Magnesium Tricarbide-Multireference Character Thwarts a Full Analysis of All Isomers. The Journal of Physical Chemistry. A. PMID 35758849 DOI: 10.1021/acs.jpca.2c01340 |
0.718 |
|
| 2022 |
Westbrook BR, Beasley GM, Fortenberry RC. Polycyclic aliphatic hydrocarbons: is tetrahedrane present in UIR spectra? Physical Chemistry Chemical Physics : Pccp. 24: 14348-14353. PMID 35642885 DOI: 10.1039/d2cp01103d |
0.356 |
|
| 2022 |
Palmer CZ, Fortenberry RC, Francisco JS. Spectral Signatures of Hydrogen Thioperoxide (HOSH) and Hydrogen Persulfide (HSSH): Possible Molecular Sulfur Sinks in the Dense ISM. Molecules (Basel, Switzerland). 27. PMID 35630675 DOI: 10.3390/molecules27103200 |
0.563 |
|
| 2022 |
Lambert EC, Williams AE, Fortenberry RC, Hammer NI. Probing halogen bonding interactions between heptafluoro-2-iodopropane and three azabenzenes with Raman spectroscopy and density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 35506511 DOI: 10.1039/d2cp00463a |
0.3 |
|
| 2022 |
Poland KN, Westbrook BR, Magers DH, Fortenberry RC, Davis SR. Benzvalyne: Real or imaginary? The Journal of Chemical Physics. 156: 024302. PMID 35032974 DOI: 10.1063/5.0077033 |
0.71 |
|
| 2021 |
Lu B, Trabelsi T, Esposito VJ, Fortenberry RC, Francisco JS, Zeng X. Spectroscopic Characterization of HSO and HOSO Intermediates Involved in SO Geoengineering. The Journal of Physical Chemistry. A. 125: 10615-10621. PMID 34890193 DOI: 10.1021/acs.jpca.1c09311 |
0.464 |
|
| 2021 |
Westbrook BR, Fortenberry RC. Anharmonic Vibrational Frequencies of Water Borane and Associated Molecules. Molecules (Basel, Switzerland). 26. PMID 34885929 DOI: 10.3390/molecules26237348 |
0.421 |
|
| 2021 |
Westbrook BR, Patel DJ, Dallas JD, Swartzfager GC, Lee TJ, Fortenberry RC. Fundamental Vibrational Frequencies and Spectroscopic Constants of Substituted Cyclopropenylidene (c-CHX, X = F, Cl, CN). The Journal of Physical Chemistry. A. PMID 34609881 DOI: 10.1021/acs.jpca.1c06576 |
0.549 |
|
| 2021 |
Fortenberry RC, Francisco JS. Anharmonic fundamental vibrational frequencies and spectroscopic constants of the potential HSO radical astromolecule. The Journal of Chemical Physics. 155: 114301. PMID 34551550 DOI: 10.1063/5.0062560 |
0.598 |
|
| 2021 |
Widicus Weaver SL, Fortenberry RC. Space is the Future: Interdisciplinary Research in Astrochemistry and Planetary Science Leads to Innovations That Impact All of Chemistry. Accounts of Chemical Research. 54: 1309-1310. PMID 33722001 DOI: 10.1021/acs.accounts.1c00105 |
0.634 |
|
| 2021 |
Westbrook BR, Valencia EM, Rushing SC, Tschumper GS, Fortenberry RC. Anharmonic vibrational frequencies of ammonia borane (BHNH). The Journal of Chemical Physics. 154: 041104. PMID 33514082 DOI: 10.1063/5.0040050 |
0.376 |
|
| 2020 |
Fortenberry RC, DeYonker NJ. Rovibrational Quantum Chemical Treatment of Inorganic and Organometallic Astrochemicals. Accounts of Chemical Research. PMID 33356121 DOI: 10.1021/acs.accounts.0c00631 |
0.643 |
|
| 2020 |
Lee TJ, Fortenberry RC. The unsolved issue with out-of-plane bending frequencies for CC multiply bonded systems. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119148. PMID 33293227 DOI: 10.1016/j.saa.2020.119148 |
0.481 |
|
| 2020 |
Gardner MB, Westbrook BR, Fortenberry RC, Lee TJ. Highly-accurate quartic force fields for the prediction of anharmonic rotational constants and fundamental vibrational frequencies. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119184. PMID 33293226 DOI: 10.1016/j.saa.2020.119184 |
0.574 |
|
| 2020 |
Fortenberry RC, Trabelsi T, Francisco JS. Anharmonic Frequencies and Spectroscopic Constants of OAlOH and AlOH: Strong Bonding but Unhindered Motion. The Journal of Physical Chemistry. A. PMID 33044814 DOI: 10.1021/acs.jpca.0c07945 |
0.575 |
|
| 2020 |
McDonald DC, Rittgers BM, Theis RA, Fortenberry RC, Marks JH, Leicht D, Duncan MA. Infrared spectroscopy and anharmonic theory of HAr complexes: The role of symmetry in solvation. The Journal of Chemical Physics. 153: 134305. PMID 33032436 DOI: 10.1063/5.0023205 |
0.341 |
|
| 2020 |
Williams AE, Davis JE, Reynolds JE, Fortenberry RC, Hammer NI, Reinemann DN. Determination of vibrational band positions in the E-hook of β-tubulin. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 244: 118895. PMID 32919160 DOI: 10.1016/J.Saa.2020.118895 |
0.403 |
|
| 2020 |
Westbrook BR, Del Rio WA, Lee TJ, Fortenberry RC. Overcoming the out-of-plane bending issue in an aromatic hydrocarbon: the anharmonic vibrational frequencies of c-(CH)CH. Physical Chemistry Chemical Physics : Pccp. PMID 32478782 DOI: 10.1039/D0Cp01889A |
0.565 |
|
| 2020 |
Kleimeier NF, Turner AM, Fortenberry R, Kaiser RI. On the Formation of the Popcorn Flavorant 2,3-Butanedione (CH3COCOCH3) in Acetaldehyde-Containing Interstellar ices. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32458552 DOI: 10.1002/Cphc.202000116 |
0.359 |
|
| 2020 |
Nguyen QLD, Peters WK, Fortenberry RC. Highly-excited state properties of cumulenone chlorides in the vacuum-ultraviolet. Physical Chemistry Chemical Physics : Pccp. PMID 32426777 DOI: 10.1039/D0Cp01835J |
0.433 |
|
| 2020 |
Fortenberry RC, Wiesenfeld L. A Molecular Candle Where Few Molecules Shine: HeHHe. Molecules (Basel, Switzerland). 25. PMID 32392765 DOI: 10.3390/Molecules25092183 |
0.378 |
|
| 2020 |
Westbrook BR, Fortenberry RC. Anharmonic Frequencies of (MO) and Related Hydrides for M = Mg, Al, Si, P, S, Ca, and Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic Oxides. The Journal of Physical Chemistry. A. PMID 32212705 DOI: 10.1021/Acs.Jpca.0C01609 |
0.439 |
|
| 2020 |
Cheng Q, Washington MC, Burns JE, Fortenberry RC, DeYonker NJ. Spectroscopic study of magnesium dinitrogen and sodium dinitrogen cation Monthly Notices of the Royal Astronomical Society. 498: 5417-5423. DOI: 10.1093/Mnras/Staa2646 |
0.509 |
|
| 2020 |
Gardner MB, Westbrook BR, Fortenberry RC. Spectral characterization for small clusters of silicon and oxygen: SiO2, SiO3, Si2O3, & Si2O4 Planetary and Space Science. 193: 105076. DOI: 10.1016/J.Pss.2020.105076 |
0.423 |
|
| 2020 |
Santaloci TJ, Fortenberry RC. On the possibility of electronically excited states in stable amine anions: Dicyanoamine, cyanoethynylamine, and diethynylamine Molecular Astrophysics. 19: 100070. DOI: 10.1016/J.Molap.2020.100070 |
0.381 |
|
| 2020 |
Fortenberry RC. The case for gas-phase astrochemistry without carbon Molecular Astrophysics. 18: 100062. DOI: 10.1016/J.Molap.2019.100062 |
0.307 |
|
| 2020 |
Inostroza-Pino N, Palmer CZ, Lee TJ, Fortenberry RC. Theoretical rovibrational characterization of the cis/trans-HCSH and H2SC isomers of the known interstellar molecule thioformaldehyde Journal of Molecular Spectroscopy. 369: 111273. DOI: 10.1016/J.Jms.2020.111273 |
0.61 |
|
| 2020 |
Dallas J, Flint A, Fortenberry RC. Solvation of HeH+ in neon atoms: Proton-bound complexes of mixed He and Ne Chemical Physics. 539: 110927. DOI: 10.1016/J.Chemphys.2020.110927 |
0.364 |
|
| 2019 |
Trabelsi T, Davis MC, Fortenberry RC, Francisco JS. Spectroscopic investigation of [Al,N,C,O] refractory molecules. The Journal of Chemical Physics. 151: 244303. PMID 31893878 DOI: 10.1063/1.5125268 |
0.628 |
|
| 2019 |
Fortenberry RC, Trabelsi T, Westbrook BR, Del Rio WA, Francisco JS. Molecular oxygen generation from the reaction of water cations with oxygen atoms. The Journal of Chemical Physics. 150: 201103. PMID 31153175 DOI: 10.1063/1.5102073 |
0.491 |
|
| 2019 |
Dubois D, Sciamma-O’Brien E, Fortenberry RC. The Fundamental Vibrational Frequencies and Spectroscopic Constants of the Dicyanoamine Anion, NCNCN− (C2N3 −): Quantum Chemical Analysis for Astrophysical and Planetary Environments The Astrophysical Journal. 883: 109. DOI: 10.3847/1538-4357/Ab345E |
0.487 |
|
| 2019 |
Agbaglo D, Lee TJ, Thackston R, Fortenberry RC. A Small Molecule with PAH Vibrational Properties and a Detectable Rotational Spectrum: c-(C)C3H2, Cyclopropenylidenyl Carbene The Astrophysical Journal. 871: 236. DOI: 10.3847/1538-4357/Aaf85A |
0.56 |
|
| 2019 |
Valencia EM, Worth CJ, Fortenberry RC. Enstatite (MgSiO3) and forsterite (Mg2SiO4) monomers and dimers: highly detectable infrared and radioastronomical molecular building blocks Monthly Notices of the Royal Astronomical Society. 492: 276-282. DOI: 10.1093/Mnras/Stz3209 |
0.391 |
|
| 2019 |
Morgan WJ, Fortenberry RC, Schaefer III HF, Lee TJ. Vibrational analysis of the ubiquitous interstellar molecule cyclopropenylidene (c-C3H2): the importance of numerical stability Molecular Physics. 118: e1589007. DOI: 10.1080/00268976.2019.1589007 |
0.57 |
|
| 2019 |
Agbaglo D, Fortenberry RC. Quantum Chemical Rovibrational Characterization of CH2ClH+, a Low-Energy Isomer of Ionized Chloromethane Acs Earth and Space Chemistry. 3: 1296-1301. DOI: 10.1021/Acsearthspacechem.9B00097 |
0.308 |
|
| 2019 |
Del Rio WA, Fortenberry RC. Rotational and vibrational fingerprints of the oxywater cation (H2OO+), a possible precursor to abiotic O2 Journal of Molecular Spectroscopy. 364: 111183. DOI: 10.1016/J.Jms.2019.111183 |
0.469 |
|
| 2019 |
Fortenberry RC. The ArNH2+ noble gas molecule: Stability, vibrational frequencies, and spectroscopic constants Journal of Molecular Spectroscopy. 357: 4-8. DOI: 10.1016/J.Jms.2019.02.001 |
0.532 |
|
| 2019 |
Fortenberry RC, Lee TJ, Inostroza-Pino N. The possibility of :CNH2+ within Titan’s atmosphere: Rovibrational analysis of :CNH2+ and :CCH2 Icarus. 321: 260-265. DOI: 10.1016/J.Icarus.2018.11.026 |
0.563 |
|
| 2019 |
Agbaglo D, Fortenberry RC. The performance of explicitly correlated wavefunctions [CCSD(T)-F12b] in the computation of anharmonic vibrational frequencies Chemical Physics Letters. 734: 136720. DOI: 10.1016/J.Cplett.2019.136720 |
0.389 |
|
| 2019 |
Agbaglo D, Fortenberry RC. The performance of explicitly correlated methods for the computation of anharmonic vibrational frequencies International Journal of Quantum Chemistry. 119: e25899. DOI: 10.1002/Qua.25899 |
0.418 |
|
| 2018 |
Fortenberry RC, Novak CM, Lee TJ, Bera PP, Rice JE. Identifying Molecular Structural Aromaticity for Hydrocarbon Classification. Acs Omega. 3: 16035-16039. PMID 31458241 DOI: 10.1021/acsomega.8b02734 |
0.452 |
|
| 2018 |
Kelly JT, Ellington TL, Sexton TM, Fortenberry RC, Tschumper GS, Asmis KR. Communication: Gas phase vibrational spectroscopy of the azide-water complex. The Journal of Chemical Physics. 149: 191101. PMID 30466274 DOI: 10.1063/1.5053671 |
0.453 |
|
| 2018 |
Fortenberry RC, Ascenzi D. ArCH2+: A Detectable Noble Gas Molecule. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30370986 DOI: 10.1002/Cphc.201800888 |
0.479 |
|
| 2018 |
Westbrook BR, Dreux KM, Tschumper GS, Francisco JS, Fortenberry RC. Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide. Physical Chemistry Chemical Physics : Pccp. PMID 30298145 DOI: 10.1039/C8Cp05378B |
0.52 |
|
| 2018 |
Palmer CZ, Fortenberry RC. Rovibrational Considerations for the Monomers and Dimers of Magnesium Hydride and Magnesium Fluoride. The Journal of Physical Chemistry. A. PMID 30095913 DOI: 10.1021/Acs.Jpca.8B06611 |
0.461 |
|
| 2018 |
Fortenberry RC, Novak CM, Lee TJ. Rovibrational analysis of c-SiCH: Further evidence for out-of-plane bending issues in correlated methods. The Journal of Chemical Physics. 149: 024303. PMID 30007394 DOI: 10.1063/1.5043166 |
0.593 |
|
| 2018 |
Fortenberry RC, Trabelsi T, Francisco JS. Hydrogen Sulfide as a Scavenger of Sulfur Atomic Cation. The Journal of Physical Chemistry. A. PMID 29750523 DOI: 10.1021/Acs.Jpca.8B02923 |
0.495 |
|
| 2018 |
Fortenberry RC, Novak CM, Layfield JP, Matito E, Lee TJ. Overcoming the Failure of Correlation for Out-of-Plane Motions in a Simple Aromatic: Rovibrational Quantum Chemical Analysis of c-CH. Journal of Chemical Theory and Computation. PMID 29522337 DOI: 10.1021/Acs.Jctc.8B00164 |
0.546 |
|
| 2018 |
Czekner J, Cheung LF, Johnson EL, Fortenberry RC, Wang LS. A high-resolution photoelectron imaging and theoretical study of CP- and C2P. The Journal of Chemical Physics. 148: 044301. PMID 29390819 DOI: 10.1063/1.5008570 |
0.418 |
|
| 2018 |
Fortenberry RC, Francisco JS. A Possible Progenitor of the Interstellar Sulfide Bond: Rovibrational Characterization of the Hydrogen Disulfide Cation HSSH+ The Astrophysical Journal. 856: 30. DOI: 10.3847/1538-4357/Aab3D6 |
0.456 |
|
| 2018 |
Fortenberry RC, Gwaltney SR. NeON+: An Atomanda Molecule Acs Earth and Space Chemistry. 2: 491-495. DOI: 10.1021/Acsearthspacechem.8B00019 |
0.452 |
|
| 2018 |
Bassett MK, Fortenberry RC. Magnesium replacement in formaldehyde: Theoretical rovibrational analysis of X∼3B1 MgCH2 Journal of Molecular Spectroscopy. 344: 61-64. DOI: 10.1016/J.Jms.2017.10.012 |
0.464 |
|
| 2018 |
Thackston R, Fortenberry RC. Quantum chemical spectral characterization of CH 2 NH 2+for remote sensing of Titan’s atmosphere Icarus. 299: 187-193. DOI: 10.1016/J.Icarus.2017.07.029 |
0.428 |
|
| 2017 |
Cheng Q, Fortenberry RC, DeYonker NJ. Towards a quantum chemical protocol for the prediction of rovibrational spectroscopic data for transition metal molecules: Exploration of CuCN, CuOH, and CuCCH. The Journal of Chemical Physics. 147: 234303. PMID 29272934 DOI: 10.1063/1.5006931 |
0.694 |
|
| 2017 |
Fortenberry RC, Lee TJ, Layfield JP. Communication: The failure of correlation to describe carbon=carbon bonding in out-of-plane bends. The Journal of Chemical Physics. 147: 221101. PMID 29246071 DOI: 10.1063/1.5013026 |
0.502 |
|
| 2017 |
Bassett MK, Fortenberry RC. Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H(). The Journal of Chemical Physics. 146: 224303. PMID 29166048 DOI: 10.1063/1.4985095 |
0.505 |
|
| 2017 |
Peters WK, Couch DE, Mignolet B, Shi X, Nguyen QL, Fortenberry RC, Schlegel HB, Remacle F, Kapteyn HC, Murnane MM, Li W. Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling. Proceedings of the National Academy of Sciences of the United States of America. PMID 29109279 DOI: 10.1073/Pnas.1712566114 |
0.416 |
|
| 2017 |
Fortenberry RC, Francisco JS, Lee TJ. Quantum Chemical Rovibrational Analysis of the HOSO Radical. The Journal of Physical Chemistry. A. PMID 28972756 DOI: 10.1021/Acs.Jpca.7B08121 |
0.684 |
|
| 2017 |
Fortenberry RC, Thackston R, Francisco JS, Lee TJ. Toward the laboratory identification of the not-so-simple NS2 neutral and anion isomers. The Journal of Chemical Physics. 147: 074303. PMID 28830189 DOI: 10.1063/1.4985901 |
0.682 |
|
| 2017 |
Fortenberry RC, Lee TJ, Huang X. Towards completing the cyclopropenylidene cycle: rovibrational analysis of cyclic N3(+), CNN, HCNN(+), and CNC(). Physical Chemistry Chemical Physics : Pccp. PMID 28812071 DOI: 10.1039/C7Cp04257D |
0.702 |
|
| 2017 |
Novak CM, Fortenberry RC. Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH(+), ArCCH(+), and ArCN(). Physical Chemistry Chemical Physics : Pccp. PMID 28150006 DOI: 10.1039/C6Cp08140A |
0.493 |
|
| 2017 |
Fortenberry RC, Francisco JS. Bridged HPSi and Linear HSiP as Probes of the SiP Radical in Astrophysical/Interstellar Media The Astrophysical Journal. 843: 124. DOI: 10.3847/1538-4357/Aa7679 |
0.628 |
|
| 2017 |
Fortenberry RC, Francisco JS. On the Detectability of the ${\tilde{{\boldsymbol{X}}}}^{2}{\boldsymbol{A}}^{\prime\prime} $ HSS, HSO, and HOS Radicals in the Interstellar Medium The Astrophysical Journal. 835: 243. DOI: 10.3847/1538-4357/Aa582D |
0.439 |
|
| 2017 |
Stephan CJ, Fortenberry RC. The interstellar formation and spectra of the noble gas, proton-bound HeHHe+, HeHNe+ and HeHAr+ complexes Monthly Notices of the Royal Astronomical Society. 469: 339-346. DOI: 10.1093/Mnras/Stx937 |
0.443 |
|
| 2017 |
Kloska KA, Fortenberry RC. Gas-phase spectra of MgO molecules: a possible connection from gas-phase molecules to planet formation Monthly Notices of the Royal Astronomical Society. 474: 2055-2063. DOI: 10.1093/Mnras/Stx2912 |
0.385 |
|
| 2017 |
Fortenberry RC. Rovibrational Characterization and Interstellar Implications of the Proton-Bound, Noble Gas Complexes: ArHAr+, NeHNe+, and ArHNe+ Acs Earth and Space Chemistry. 1: 60-69. DOI: 10.1021/Acsearthspacechem.7B00003 |
0.419 |
|
| 2017 |
Theis RA, Fortenberry RC. On the spectroscopic constants, first electronic state, vibrational frequencies, and isomerization of hydroxymethylene (HCOH+) Molecular Astrophysics. 8: 27-35. DOI: 10.1016/J.Molap.2017.06.001 |
0.517 |
|
| 2017 |
Fortenberry RC. Alkyl-functionalized and methylidyne-doped boron nitride fullerene polymer precursors Computational and Theoretical Chemistry. 1105: 46-51. DOI: 10.1016/J.Comptc.2017.02.022 |
0.304 |
|
| 2017 |
Hurst MO, Fortenberry RC. Two small molecular propellers and their rotational potential energy surfaces Structural Chemistry. 28: 1653-1662. DOI: 10.1007/S11224-017-0931-1 |
0.367 |
|
| 2017 |
Thackston R, Fortenberry RC. An efficient algorithm for the determination of force constants and displacements in numerical definitions of a large, general order Taylor series expansion Journal of Mathematical Chemistry. 56: 103-119. DOI: 10.1007/S10910-017-0783-3 |
0.387 |
|
| 2016 |
Fortenberry RC. The rovibrational nature of cis- and trans-HNNS: A possible nitrogen molecule progenitor. The Journal of Chemical Physics. 145: 204302. PMID 27908132 DOI: 10.1063/1.4968036 |
0.387 |
|
| 2016 |
Finney B, Fortenberry RC, Francisco JS, Peterson KA. A spectroscopic case for SPSi detection: The third-row in a single molecule. The Journal of Chemical Physics. 145: 124311. PMID 27782681 DOI: 10.1063/1.4963337 |
0.603 |
|
| 2016 |
Fortenberry RC, Lee TJ, Francisco JS. Quantum Chemical Analysis of the CO-HNN+ Proton-Bound Complex. The Journal of Physical Chemistry. A. PMID 27643412 DOI: 10.1021/Acs.Jpca.6B07515 |
0.661 |
|
| 2016 |
Fortenberry RC, Moore MM, Lee TJ. Excited State Trends in Bidirectionally Expanded Closed-Shell PAH and PANH Anions. The Journal of Physical Chemistry. A. PMID 27585793 DOI: 10.1021/Acs.Jpca.6B06654 |
0.553 |
|
| 2016 |
Fortenberry RC, Francisco JS, Lee TJ. TOWARD the ASTRONOMICAL DETECTION of the PROTON-BOUND COMPLEX NN-HCO+: IMPLICATIONS for the SPECTRA of PROTOPLANETARY DISKS Astrophysical Journal. 819. DOI: 10.3847/0004-637X/819/2/141 |
0.632 |
|
| 2016 |
Finney B, Fortenberry RC, Francisco JS, Peterson KA. A spectroscopic case for SPSi detection: The third-row in a single molecule Journal of Chemical Physics. 145. DOI: 10.1063/1.4963337 |
0.375 |
|
| 2016 |
Fortenberry RC. Analysis of a bicyclic, triple disulphide molecular nanopropeller Rsc Advances. 6: 43509-43517. DOI: 10.1039/C6Ra08520B |
0.367 |
|
| 2016 |
Fortenberry RC. Methylidyne-replaced boron nitride fullerenes and nanotubes: A wave function study New Journal of Chemistry. 40: 8149-8157. DOI: 10.1039/C6Nj01821A |
0.343 |
|
| 2016 |
Theis RA, Fortenberry RC. Potential interstellar noble gas molecules: ArOH+ and NeOH+ rovibrational analysis from quantum chemical quartic force fields Molecular Astrophysics. 2: 18-24. DOI: 10.1016/J.Molap.2015.12.001 |
0.461 |
|
| 2016 |
Novak CM, Fortenberry RC. Theoretical rovibrational analysis of the covalent noble gas compound ArNH+ Journal of Molecular Spectroscopy. 322: 29-32. DOI: 10.1016/J.Jms.2016.03.003 |
0.423 |
|
| 2016 |
Fortenberry RC, Roueff E, Lee TJ. Inclusion of 13C and D in protonated acetylene Chemical Physics Letters. 650: 126-129. DOI: 10.1016/J.Cplett.2016.02.068 |
0.532 |
|
| 2016 |
Kitchens MJR, Fortenberry RC. The rovibrational nature of closed-shell third-row triatomics: HOX and HXO, X = Si+, P, S+, and Cl Chemical Physics. 472: 119-127. DOI: 10.1016/J.Chemphys.2016.03.018 |
0.499 |
|
| 2016 |
Fortenberry RC. Quantum astrochemical spectroscopy International Journal of Quantum Chemistry. 117: 81-91. DOI: 10.1002/Qua.25180 |
0.334 |
|
| 2015 |
Theis ML, Candian A, Tielens AG, Lee TJ, Fortenberry RC. Electronically Excited States of Anisotropically Extended Singly-Deprotonated PAH Anions. The Journal of Physical Chemistry. A. PMID 26645382 DOI: 10.1021/Acs.Jpca.5B10421 |
0.572 |
|
| 2015 |
Fortenberry RC, Francisco JS. Energetics, structure, and rovibrational spectroscopic properties of the sulfurous anions SNO(-) and OSN(.). The Journal of Chemical Physics. 143: 184301. PMID 26567656 DOI: 10.1063/1.4935056 |
0.589 |
|
| 2015 |
Yu Q, Bowman JM, Fortenberry RC, Mancini JS, Lee TJ, Crawford TD, Klemperer W, Francisco JS. The Structure, Anharmonic Vibrational Frequencies, and Intensities of NNHNN(.) The Journal of Physical Chemistry. A. PMID 26529262 DOI: 10.1021/Acs.Jpca.5B09682 |
0.74 |
|
| 2015 |
Fortenberry RC, Francisco JS. Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues. The Journal of Chemical Physics. 143: 084308. PMID 26328844 DOI: 10.1063/1.4929472 |
0.611 |
|
| 2015 |
Fortenberry RC, Yu Q, Mancini JS, Bowman JM, Lee TJ, Crawford TD, Klemperer WF, Francisco JS. Communication: Spectroscopic consequences of proton delocalization in OCHCO(.). The Journal of Chemical Physics. 143: 071102. PMID 26298107 DOI: 10.1063/1.4929345 |
0.764 |
|
| 2015 |
Fortenberry RC. Interstellar Anions: The Role of Quantum Chemistry. The Journal of Physical Chemistry. A. PMID 26237230 DOI: 10.1021/Acs.Jpca.5B05056 |
0.356 |
|
| 2015 |
Morgan WJ, Fortenberry RC. Theoretical Rovibronic Treatment of the X̃ (2)Σ(+) and à (2)Π States of C2H and the X̃ (1)Σ(+) State of C2H(-) from Quartic Force Fields. The Journal of Physical Chemistry. A. 119: 7013-25. PMID 26061535 DOI: 10.1021/Acs.Jpca.5B03489 |
0.472 |
|
| 2015 |
Theis ML, Candian A, Tielens AG, Lee TJ, Fortenberry RC. Electronically excited states of PANH anions. Physical Chemistry Chemical Physics : Pccp. 17: 14761-72. PMID 25975430 DOI: 10.1039/C5Cp01354B |
0.566 |
|
| 2015 |
Theis RA, Fortenberry RC. Trihydrogen cation with neon and argon: structural, energetic, and spectroscopic data from quartic force fields. The Journal of Physical Chemistry. A. 119: 4915-22. PMID 25923978 DOI: 10.1021/Acs.Jpca.5B03058 |
0.421 |
|
| 2015 |
Thackston R, Fortenberry RC. The performance of low-cost commercial cloud computing as an alternative in computational chemistry. Journal of Computational Chemistry. 36: 926-33. PMID 25753841 DOI: 10.1002/Jcc.23882 |
0.312 |
|
| 2015 |
Morgan WJ, Fortenberry RC. Quartic force fields for excited electronic states: rovibronic reference data for the 1 (2)A' and 1 (2)A″ states of the isoformyl radical, HOC. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 135: 965-72. PMID 25168234 DOI: 10.1016/J.Saa.2014.07.082 |
0.453 |
|
| 2015 |
Fortenberry RC, Lukemire JA. Electronic and rovibrational quantum chemical analysis of C3P-: The next interstellar anion? Monthly Notices of the Royal Astronomical Society. 453: 2824-2829. DOI: 10.1093/Mnras/Stv1844 |
0.396 |
|
| 2015 |
Fortenberry RC, Lee TJ. Rovibrational and energetic analysis of the hydroxyethynyl anion (CCOH-) Molecular Physics. 113: 2012-2017. DOI: 10.1080/00268976.2015.1031841 |
0.623 |
|
| 2015 |
Rangwala N, Huang X, Colgan S, Lee T, Fortenberry R. Identifying New Molecules from Comparison of Herschel-HIFI Spectra with ab initio Computational Spectra Proceedings of the International Astronomical Union. 11. DOI: 10.1017/s1743921317005051 |
0.495 |
|
| 2015 |
Fortenberry RC, Lee TJ, Müller HSP. Excited vibrational level rotational constants for SiC2: A sensitive molecular diagnostic for astrophysical conditions Molecular Astrophysics. 1: 13-19. DOI: 10.1016/J.Molap.2015.07.001 |
0.611 |
|
| 2015 |
Hurst MO, Fortenberry RC. Factors affecting the solubility of ionic compounds Computational and Theoretical Chemistry. 1069: 132-137. DOI: 10.1016/J.Comptc.2015.07.019 |
0.309 |
|
| 2015 |
Morgan WJ, Fortenberry RC. Additional diffuse functions in basis sets for dipole-bound excited states of anions Theoretical Chemistry Accounts. 134. DOI: 10.1007/S00214-015-1647-1 |
0.405 |
|
| 2015 |
Fortenberry RC, Thackston R. Optimal cloud use of quartic force fields: The first purely commercial cloud computing based study for rovibrational analysis of SiCH- International Journal of Quantum Chemistry. 115: 1650-1657. DOI: 10.1002/Qua.24997 |
0.373 |
|
| 2014 |
Fortenberry RC, Morgan WJ, Enyard JD. Predictable valence excited states of anions. The Journal of Physical Chemistry. A. 118: 10763-9. PMID 25333194 DOI: 10.1021/Jp509512U |
0.399 |
|
| 2014 |
Kokkin DL, Reilly NJ, Fortenberry RC, Crawford TD, McCarthy MC. Optical spectra of the silicon-terminated carbon chain radicals SiCnH (n = 3,4,5). The Journal of Chemical Physics. 141: 044310. PMID 25084913 DOI: 10.1063/1.4883521 |
0.623 |
|
| 2014 |
Fortenberry RC, Huang X, Crawford TD, Lee TJ. Quartic force field rovibrational analysis of protonated acetylene, C2H3(+), and its isotopologues. The Journal of Physical Chemistry. A. 118: 7034-43. PMID 25076406 DOI: 10.1021/Jp506441G |
0.758 |
|
| 2014 |
Fortenberry RC, Huang X, McCarthy MC, Crawford TD, Lee TJ. Fundamental vibrational frequencies and spectroscopic constants of cis- and trans-HOCS, HSCO, and isotopologues via quartic force fields. The Journal of Physical Chemistry. B. 118: 6498-510. PMID 24635494 DOI: 10.1021/Jp412362H |
0.779 |
|
| 2014 |
Fortenberry RC, Huang X, Schwenke DW, Lee TJ. Limited rotational and rovibrational line lists computed with highly accurate quartic force fields and ab initio dipole surfaces. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 76-83. PMID 23692860 DOI: 10.1016/J.Saa.2013.03.092 |
0.649 |
|
| 2014 |
Theis RA, Morgan WJ, Fortenberry RC. ArH2 + and NeH2 + as global minima in the Ar+/Ne+ + H2 reactions: Energetic, spectroscopic, and structural data Monthly Notices of the Royal Astronomical Society. 446: 195-204. DOI: 10.1093/Mnras/Stu1785 |
0.324 |
|
| 2014 |
Fortenberry RC, Huang X, Crawford TD, Lee TJ. Quantum chemical rovibrational data for the interstellar detection of c-C3H- Astrophysical Journal. 796. DOI: 10.1088/0004-637X/796/2/139 |
0.713 |
|
| 2014 |
Fortenberry RC. Theoretical electronic and rovibrational studies for anions of interest to the DIBs Proceedings of the International Astronomical Union. 9: 344-348. DOI: 10.1017/S1743921313016098 |
0.467 |
|
| 2014 |
Orvis JA, Hurst MO, Fortenberry RC. Novel dihydrate formation in p-nitrophenylglyoxal Structural Chemistry. 25: 1513-1520. DOI: 10.1007/S11224-014-0429-Z |
0.318 |
|
| 2013 |
Fortenberry RC, Crawford TD, Lee TJ. Vibrational frequencies and spectroscopic constants for 1 3A' HNC and 1 3A' HOC+ from high-accuracy quartic force fields. The Journal of Physical Chemistry. A. 117: 11339-45. PMID 24102307 DOI: 10.1021/Jp408750H |
0.725 |
|
| 2013 |
Huang X, Fortenberry RC, Lee TJ. Protonated nitrous oxide, NNOH+: fundamental vibrational frequencies and spectroscopic constants from quartic force fields. The Journal of Chemical Physics. 139: 084313. PMID 24007003 DOI: 10.1063/1.4819069 |
0.724 |
|
| 2013 |
Huang X, Fortenberry RC, Wang Y, Francisco JS, Crawford TD, Bowman JM, Lee TJ. Dipole surface and infrared intensities for the cis- and trans-HOCO and DOCO radicals. The Journal of Physical Chemistry. A. 117: 6932-9. PMID 23199284 DOI: 10.1021/Jp3102546 |
0.794 |
|
| 2013 |
Fortenberry RC, Huang X, Crawford TD, Lee TJ. The 1 3A' HCN and 1 3A' HCO+ vibrational frequencies and spectroscopic constants from quartic force fields. The Journal of Physical Chemistry. A. 117: 9324-30. PMID 23121098 DOI: 10.1021/Jp309243S |
0.763 |
|
| 2013 |
Huang X, Fortenberry RC, Lee TJ. Spectroscopic constants and vibrational frequencies for l-C 3H+ and isotopologues from highly accurate quartic force fields: The detection of l-C3H+ in the horsehead nebula PDR questioned Astrophysical Journal Letters. 768. DOI: 10.1088/2041-8205/768/2/L25 |
0.685 |
|
| 2013 |
Inostroza N, Fortenberry RC, Huang X, Lee TJ. Rovibrational spectroscopic constants and fundamental vibrational frequencies for isotopologues of cyclic and bent singlet HC2N isomers Astrophysical Journal. 778. DOI: 10.1088/0004-637X/778/2/160 |
0.693 |
|
| 2013 |
Fortenberry RC, Huang X, Crawford TD, Lee TJ. High-accuracy quartic force field calculations for the spectroscopic constants and vibrational frequencies of 11 A′ l-C 3H-: A possible link to lines observed in the horsehead nebula photodissociation region Astrophysical Journal. 772. DOI: 10.1088/0004-637X/772/1/39 |
0.698 |
|
| 2013 |
Fortenberry RC, Crawford TD, Lee TJ. The possible interstellar anion CH2CN-: Spectroscopic constants, vibrational frequencies, and other considerations Astrophysical Journal. 762. DOI: 10.1088/0004-637X/762/2/121 |
0.736 |
|
| 2013 |
Fortenberry RC. Singlet excited states of anions with higher main group elements Molecular Physics. 111: 3265-3275. DOI: 10.1080/00268976.2013.780105 |
0.384 |
|
| 2013 |
Fortenberry RC, Huang X, Yachmenev A, Thiel W, Lee TJ. On the use of quartic force fields in variational calculations Chemical Physics Letters. 574: 1-12. DOI: 10.1016/J.Cplett.2013.03.078 |
0.711 |
|
| 2012 |
Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Fundamental vibrational frequencies and spectroscopic constants of HOCS+, HSCO+, and isotopologues via quartic force fields. The Journal of Physical Chemistry. A. 116: 9582-90. PMID 22950849 DOI: 10.1021/Jp3073206 |
0.796 |
|
| 2012 |
Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+. The Journal of Chemical Physics. 136: 234309. PMID 22779595 DOI: 10.1063/1.4729309 |
0.794 |
|
| 2012 |
Reilly NJ, Kokkin DL, Zhuang X, Gupta V, Nagarajan R, Fortenberry RC, Maier JP, Steimle TC, Stanton JF, McCarthy MC. The electronic spectrum of Si3 I: triplet D(3h) system. The Journal of Chemical Physics. 136: 194307. PMID 22612095 DOI: 10.1063/1.4704672 |
0.596 |
|
| 2011 |
Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion. The Journal of Chemical Physics. 135: 214303. PMID 22149788 DOI: 10.1063/1.3663615 |
0.796 |
|
| 2011 |
Fortenberry RC, Huang X, Francisco JS, Crawford TD, Lee TJ. The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants. The Journal of Chemical Physics. 135: 134301. PMID 21992299 DOI: 10.1063/1.3643336 |
0.793 |
|
| 2011 |
Fortenberry RC, Crawford TD. Singlet excited states of silicon-containing anions relevant to interstellar chemistry. The Journal of Physical Chemistry. A. 115: 8119-24. PMID 21657223 DOI: 10.1021/Jp204844J |
0.595 |
|
| 2011 |
Fortenberry RC, Crawford TD. Theoretical prediction of new dipole-bound singlet states for anions of interstellar interest. The Journal of Chemical Physics. 134: 154304. PMID 21513384 DOI: 10.1063/1.3576053 |
0.612 |
|
| 2011 |
Fortenberry RC, Crawford TD. Theoretical prediction of new dipole-bound singlet states for anions of interstellar interest Journal of Chemical Physics. 134. DOI: 10.1063/1.3576053 |
0.497 |
|
| 2011 |
Fortenberry RC, Crawford TD. Singlet excited states of silicon-containing anions relevant to interstellar chemistry Journal of Physical Chemistry A. 115: 8119-8124. DOI: 10.1021/jp204844j |
0.5 |
|
| 2011 |
Fortenberry RC, Crawford TD. Electronically Excited States in Interstellar Chemistry Annual Reports in Computational Chemistry. 7: 195-214. DOI: 10.1016/B978-0-444-53835-2.00009-2 |
0.597 |
|
| 2010 |
Fortenberry RC, King RA, Stanton JF, Crawford TD. A benchmark study of the vertical electronic spectra of the linear chain radicals C(2)H and C(4)H. The Journal of Chemical Physics. 132: 144303. PMID 20405992 DOI: 10.1063/1.3376073 |
0.657 |
|
| 2007 |
Wei H, Lee TY, Miao W, Fortenberry R, Magers DH, Hait S, Guymon AC, Jönsson SE, Hoyle CE. Characterization and photopolymerization of divinyl fumarate Macromolecules. 40: 6172-6180. DOI: 10.1021/Ma070344A |
0.672 |
|
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