ORCID as entered in ROS
https://orcid.org/0000-0003-1039-2143
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Preprints
, 2024, Quartz Clouds in the Dayside Atmosphere of the Quintessential Hot Jupiter HD 189733 b, http://dx.doi.org/10.48550/arxiv.2409.11395
, 2024, A hybrid approach to generating diatomic line lists for high resolution studies of exoplanets and other hot astronomical objects: Updates to ExoMol MgO, TiO and VO line lists, http://arxiv.org/abs/2409.03984v1
, 2024, Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why unpolarised basis sets and the polarised 6-311G family should be avoided, http://dx.doi.org/10.1021/acs.jpca.3c05573
, 2024, On the Specialisation of Gaussian Basis Sets for Core-Dependent Properties, http://dx.doi.org/10.48550/arxiv.2409.03994
, 2024, The 2024 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres, http://arxiv.org/abs/2406.06347v1
, 2024, Full spectroscopic model and trihybrid experimental-perturbative-variational line list for NH, http://arxiv.org/abs/2405.14065v1
, 2024, Full spectroscopic model and trihybrid experimental-perturbative-variational line list for NH, http://dx.doi.org/10.48550/arxiv.2405.14065
, 2023, Full Spectroscopic Model and Trihybrid Experimental-Perturbative-Variational Line List for ZrO, http://dx.doi.org/10.1093/mnras/stad2103
, 2023, High-throughput Quantum Chemistry: Empowering the Search for Molecular Candidates behind Unknown Spectral Signatures in Exoplanetary Atmospheres, http://dx.doi.org/10.48550/arxiv.2306.11988
, 2023, Model Chemistry Recommendations for Scaled Harmonic Frequency Calculations: A Benchmark Study, http://arxiv.org/abs/2302.04448v1
, 2023, VIBFREQ1295: A New Database for Vibrational Frequency Calculations, http://dx.doi.org/10.1021/acs.jpca.2c01438
, 2021, Meta-analysis of Uniform Scaling Factors for Harmonic Frequency Calculations, http://dx.doi.org/10.1002/wcms.1584
, 2021, Computational Infrared Spectroscopy of 958 Phosphorus-bearing Molecules, http://dx.doi.org/10.48550/arxiv.2105.08897
, 2021, Molecular diatomic spectroscopy data, http://dx.doi.org/10.48550/arxiv.2103.09995
, 2020, An update to the MARVEL dataset and ExoMol line list for 12C2, http://dx.doi.org/10.48550/arxiv.2009.04618
, 2020, Experimental energy levels of 12C14N through MARVEL analysis, http://dx.doi.org/10.48550/arxiv.2008.10809
, 2020, On the Computation of Dipole Moments: A Recommendation on the Choice of the Basis Set and the Level of Theory, http://dx.doi.org/10.48550/arxiv.2008.10929
, 2020, Computational insight into diatomic molecules as probes to measure the variation of the proton-to-electron mass ratio, http://dx.doi.org/10.48550/arxiv.2008.10799
, 2020, Analysis of the TiO isotopologues in stellar optical spectra, http://dx.doi.org/10.48550/arxiv.2008.02092
, 2020, The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres, http://dx.doi.org/10.48550/arxiv.2007.13022
, 2020, Assessing Spectra and Thermal Inversions due to TiO in Hot Jupiter Atmospheres, http://dx.doi.org/10.48550/arxiv.2006.04807
, 2020, Mixed ramp-Gaussian basis sets for core-dependent properties: STO-RG and STO-R2G for Li-Ne, http://dx.doi.org/10.48550/arxiv.2005.01237
, 2020, Non-detection of TiO and VO in the atmosphere of WASP-121b using high-resolution spectroscopy, http://dx.doi.org/10.48550/arxiv.2002.02795
, 2020, Diatomic rovibronic transitions as potential probes for proton-to-electron mass ratio across cosmological time, http://dx.doi.org/10.48550/arxiv.2001.06121
, 2019, Low-temperature scattering with the R-matrix method: from nuclear scattering to atom-atom scattering and beyond, http://dx.doi.org/10.48550/arxiv.1911.00027
, 2019, ExoMol Molecular linelists -- XXXIII. The spectrum of Titanium Oxide, http://dx.doi.org/10.48550/arxiv.1905.04587
, 2019, Low temperature scattering with the R-matrix method: argon-argon scattering, http://dx.doi.org/10.48550/arxiv.1904.11964
, 2019, General Mathematical Formulation of Scattering Processes in Atom-Diatomic Collisions in the RmatReact Methodology, http://dx.doi.org/10.48550/arxiv.1902.02545
, 2018, A global potential energy surface for H$_3^+$, http://dx.doi.org/10.48550/arxiv.1812.06035
, 2018, MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra of 90Zr16O, http://dx.doi.org/10.48550/arxiv.1811.01511
, 2018, Low temperature scattering with the R-matrix method: the Morse potential, http://dx.doi.org/10.48550/arxiv.1810.03475
, 2018, ExoMol molecular line lists - XXVI: spectra of SH and NS, http://dx.doi.org/10.48550/arxiv.1803.09724
, 2017, A population study of gaseous exoplanets, http://dx.doi.org/10.48550/arxiv.1704.05413
, 2017, MARVEL analysis of the measured high-resolution rovibronic spectra of $^{48}$Ti$^{16}$O, http://dx.doi.org/10.48550/arxiv.1703.03477
, 2016, ExoMol line lists XVIII. The high temperature spectrum of VO, http://dx.doi.org/10.48550/arxiv.1609.06120
, 2016, Low-temperature chemistry using the R-matrix method, http://dx.doi.org/10.48550/arxiv.1609.06059
, 2016, Ab initio calculations to support accurate modelling of the rovibronic spectroscopy calculations of vanadium monoxide (VO), http://dx.doi.org/10.48550/arxiv.1609.05073
, 2016, The {\it ab initio} calculation of spectra of open shell diatomic molecules, http://dx.doi.org/10.48550/arxiv.1605.02301
, 2016, The ExoMol database: molecular line lists for exoplanet and other hot atmospheres, http://dx.doi.org/10.48550/arxiv.1603.05890
, 2011, Quantum entanglement between electronic and vibrational degrees of freedom in molecules, http://dx.doi.org/10.48550/arxiv.1107.1105
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https://orcid.org/0000-0003-1039-2143