By Dr Laura McKemmish

Preprints

Perri AN; Taher F; McKemmish LK, 2023, Full Spectroscopic Model and Trihybrid Experimental-Perturbative-Variational Line List for ZrO, , http://dx.doi.org/10.1093/mnras/stad2103

Perri AN; Taher F; McKemmish LK, 2023, Full Spectroscopic Model and Trihybrid Experimental-Perturbative-Variational Line List for ZrO, , http://dx.doi.org/10.48550/arxiv.2308.03922

Trujillo JCZ; Pettyjohn MM; McKemmish LK, 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

Trujillo JCZ; McKemmish LK, 2023, Model Chemistry Recommendations for Scaled Harmonic Frequency Calculations: A Benchmark Study, , http://arxiv.org/abs/2302.04448v1

Trujillo JCZ; McKemmish LK, 2023, VIBFREQ1295: A New Database for Vibrational Frequency Calculations, , http://dx.doi.org/10.1021/acs.jpca.2c01438

Trujillo JCZ; McKemmish LK, 2021, Meta-analysis of Uniform Scaling Factors for Harmonic Frequency Calculations, , http://dx.doi.org/10.1002/wcms.1584

Trujilo JCZ; Syme A-M; Rowell KN; Burns BP; Clark ES; Gorman MN; Jacob LSD; Kapodistrias P; Kedziora DJ; Lempriere FAR; Medcraft C; O'Sullivan J; Robertson EG; Soares GG; Steller L; Teece BL; Tremblay CD; Sousa-Silva C; McKemmish LK, 2021, Computational Infrared Spectroscopy of 958 Phosphorus-bearing Molecules, , http://dx.doi.org/10.48550/arxiv.2105.08897

McKemmish LK, 2021, Molecular diatomic spectroscopy data, , http://dx.doi.org/10.48550/arxiv.2103.09995

McKemmish LK; Syme A-M; Borsovszky J; Yurchenko SN; Tennyson J; Furtenbacher T; Csaszar AG, 2020, An update to the MARVEL dataset and ExoMol line list for 12C2, , http://dx.doi.org/10.48550/arxiv.2009.04618

Syme A-M; McKemmish LK, 2020, Experimental energy levels of 12C14N through MARVEL analysis, , http://dx.doi.org/10.48550/arxiv.2008.10809

Zapata JC; McKemmish LK, 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

Syme A-M; McKemmish LK, 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

Pavlenko YV; Yurchenko SN; McKemmish LK; Tennyson J, 2020, Analysis of the TiO isotopologues in stellar optical spectra, , http://dx.doi.org/10.48550/arxiv.2008.02092

Tennyson J; Yurchenko SN; Al-Refaie AF; Clark VHJ; Chubb KL; Conway EK; Dewan A; Gorman MN; Hill C; Lynas-Gray AE; Mellor T; McKemmish LK; Owens A; Polyansky OL; Semenov M; Somogyi W; Tinetti G; Upadhyay A; Waldmann I; Wang Y; Wright S; Yurchenko OP, 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

Piette AAA; Madhusudhan N; McKemmish LK; Gandhi S; Masseron T; Welbanks L, 2020, Assessing Spectra and Thermal Inversions due to TiO in Hot Jupiter Atmospheres, , http://dx.doi.org/10.48550/arxiv.2006.04807

Cox CS; Zapata JC; McKemmish LK, 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

Merritt SR; Gibson NP; Nugroho SK; de Mooij EJW; Hooton MJ; Matthews SM; McKemmish LK; Mikal-Evans T; Nikolov N; Sing DK; Spake JJ; Watson CA, 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

Syme A-M; Mousley A; Cunningham M; McKemmish LK, 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

Rivlin T; McKemmish LK; Spinlove KE; Tennyson J, 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

McKemmish LK; Masseron T; Hoeijmakers HJ; Perez-Mesa V; Grimm SL; Yurchenko SN; Tennyson J, 2019, ExoMol Molecular linelists -- XXXIII. The spectrum of Titanium Oxide, , http://dx.doi.org/10.48550/arxiv.1905.04587

Rivlin T; McKemmish LK; Spinlove KE; Tennyson J, 2019, Low temperature scattering with the R-matrix method: argon-argon scattering, , http://dx.doi.org/10.48550/arxiv.1904.11964

McKemmish LK; Tennyson J, 2019, General Mathematical Formulation of Scattering Processes in Atom-Diatomic Collisions in the RmatReact Methodology, , http://dx.doi.org/10.48550/arxiv.1902.02545

Mizus II; Polyansky OL; McKemmish LK; Tennyson J; Alijah A; Zobov NF, 2018, A global potential energy surface for H$_3^+$, , http://dx.doi.org/10.48550/arxiv.1812.06035

McKemmish LK; Borsovszky J; Goodhew KL; Sheppard S; Bennett AFV; Martin ADJ; Singh A; Sturgeon CAJ; Furtenbacher T; Csaszar AG; Tennyson J, 2018, MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra of 90Zr16O, , http://dx.doi.org/10.48550/arxiv.1811.01511

Rivlin T; McKemmish LK; Tennyson J, 2018, Low temperature scattering with the R-matrix method: the Morse potential, , http://dx.doi.org/10.48550/arxiv.1810.03475

Yurchenko SN; Bond W; Gorman MN; Lodi L; McKemmish LK; Nunn W; Shah R; Tennyson J, 2018, ExoMol molecular line lists - XXVI: spectra of SH and NS, , http://dx.doi.org/10.48550/arxiv.1803.09724

Tsiaras A; Waldmann IP; Zingales T; Rocchetto M; Morello G; Damiano M; Karpouzas K; Tinetti G; McKemmish LK; Tennyson J; Yurchenko SN, 2017, A population study of gaseous exoplanets, , http://dx.doi.org/10.48550/arxiv.1704.05413

McKemmish LK; Masseron T; Sheppard S; Sandeman E; Schofield Z; Furtenbacher T; Csaszar AG; Tennyson J; Sousa-Silva C, 2017, MARVEL analysis of the measured high-resolution rovibronic spectra of $^{48}$Ti$^{16}$O, , http://dx.doi.org/10.48550/arxiv.1703.03477

McKemmish LK; Yurchenko SN; Tennyson J, 2016, ExoMol line lists XVIII. The high temperature spectrum of VO, , http://dx.doi.org/10.48550/arxiv.1609.06120

Tennyson J; McKemmish LK; Rivlin T, 2016, Low-temperature chemistry using the R-matrix method, , http://dx.doi.org/10.48550/arxiv.1609.06059

McKemmish LK; Yurchenko SN; Tennyson J, 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

Tennyson J; Lodi L; McKemmish LK; Yurchenko SN, 2016, The {\it ab initio} calculation of spectra of open shell diatomic molecules, , http://dx.doi.org/10.48550/arxiv.1605.02301

Tennyson J; Yurchenko SN; Al-Refaie AF; Barton EJ; Chubb KL; Coles PA; Diamantopoulou S; Gorman MN; Hill C; Lam AZ; Lodi L; McKemmish LK; Na Y; Owens A; Polyansky OL; Sousa-Silva C; Underwood DS; Yachmenev A; Zak E, 2016, The ExoMol database: molecular line lists for exoplanet and other hot atmospheres, , http://dx.doi.org/10.48550/arxiv.1603.05890

McKemmish LK; McKenzie RH; Hush NS; Reimers JR, 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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