| ExoMol line lists – XLIV. Infrared and ultraviolet line list for silicon monoxide (28Si16O) SN Yurchenko, J Tennyson, AM Syme, AY Adam, VHJ Clark, B Cooper, ... Monthly Notices of the Royal Astronomical Society 510 (1), 903-919, 2022 | 43 | 2022 |
| Computation of dipole moments: a recommendation on the choice of the basis set and the level of theory JC Zapata, LK McKemmish The Journal of Physical Chemistry A 124 (37), 7538-7548, 2020 | 40 | 2020 |
| Model chemistry recommendations for scaled harmonic frequency calculations: A benchmark study JC Zapata Trujillo, LK McKemmish The Journal of Physical Chemistry A 127 (7), 1715-1735, 2023 | 36 | 2023 |
| Meta‐analysis of uniform scaling factors for harmonic frequency calculations JC Zapata Trujillo, LK McKemmish Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (3), e1584, 2022 | 26 | 2022 |
| VIBFREQ1295: A new database for vibrational frequency calculations JC Zapata Trujillo, LK McKemmish The Journal of Physical Chemistry A 126 (25), 4100-4122, 2022 | 19 | 2022 |
| Computational infrared spectroscopy of 958 phosphorus-bearing molecules JC Zapata Trujillo, AM Syme, KN Rowell, BP Burns, ES Clark, ... Frontiers in Astronomy and Space Sciences 8, 639068, 2021 | 18 | 2021 |
| High-throughput quantum chemistry: empowering the search for molecular candidates behind unknown spectral signatures in exoplanetary atmospheres JC Zapata Trujillo, MM Pettyjohn, LK McKemmish Monthly Notices of the Royal Astronomical Society 524 (1), 361-376, 2023 | 10 | 2023 |
| Quartz Clouds in the Dayside Atmosphere of the Quintessential Hot Jupiter HD 189733 b J Inglis, NE Batalha, NK Lewis, T Kataria, HA Knutson, BM Kilpatrick, ... The Astrophysical Journal Letters 973 (2), L41, 2024 | 6 | 2024 |
| Mixed ramp-Gaussian basis sets for core-dependent properties: STO-RG and STO-R2G for Li-Ne CS Cox, JC Zapata, LK McKemmish Australian Journal of Chemistry 73 (10), 911-922, 2020 | 4 | 2020 |
| Quantum chemistry meets astrobiology: Approximate vibrational spectral data for potential biosignatures JC Zapata Trujillo UNSW Sydney, 2023 | | 2023 |
| Model Chemistry Recommendations For Harmonic Frequency Calculations: A Benchmark Study JC Zapata Trujillo International Symposium on Molecular Spectroscopy, 2022 | | 2022 |
| Ir, Visible, and UV Line List of Silicon Monoxide (SiO)-a Hackathon Project AY Adam, VHJ Clark, B Cooper, P Dobney, STE Donnelly, MN Gorman, ... 2021 International Symposium on Molecular Spectroscopy, 2021 | | 2021 |
| Computational Infrared Spectroscopy of Phosphorus-Containing Potential Biosignatures JC Zapata Trujillo, AM Syme, KN Rowell, C Sousa-Silva, LK McKemmish 2021 International Symposium on Molecular Spectroscopy, 2021 | | 2021 |
| On the Computational Spectra for Potential Biosignatures JC Zapata Trujillo, L Mckemmish 43rd COSPAR Scientific Assembly. Held 28 January-4 February 43, 527, 2021 | | 2021 |
| Cálculo de las Intensidades ópticas para las transiciones resonancia, estado ligado en la formación de moléculas frías de KRb JA Gómez Gómez, JC Zapata Trujillo Universidad Icesi, 0 | | |
Laura K McKemmishUniversity of New South WalesVerified email at unsw.edu.au