Papers
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2024
68) Reply to Comment on Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why unpolarised basis sets and the polarised 6-311G family should be avoided
Samuel J. Pitman, Alicia K. Evans, Robbie T. Ireland, Felix Lempriere, Laura K. McKemmish*; Journal of Physical Chemistry A 2024 (submitted).
67) 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
Laura K McKemmish*, Charles A. Boweman, Kyriaki Kefala, Armando N. Perri, Anna-Maree Syme, Sergei N. Yurchenko, Jonathan Tennyson*. RAS Techniques and Instruments, 2024 (submitted)
66) The 2024 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
Jonathan Tennyson, Sergei N. Yurchenko, Jingxin Zhang, Charles A. Bowesman, Ryan P. Brady, Jeanna Buldyreva, Katy L. Chubb, Robert R. Gamache, Maire N. Gorman, Elizabeth R. Guest, Christian Hill, Kyriaki Kefala, A. E. Lynas-Gray, Thomas M. Mellor, Laura K. McKemmish, Georgi B. Mitev, Irina I. Mizus, Alec Owens, Zhijian Peng, Armando N. Perri, Marco Pezzella, Oleg L. Polyansky, Qianwei Qu, Mikhail Semenov, Oleksiy Smola, Andrei Solokov, Wilfrid Somogyi, Apoorva Upadhyay, Samuel O.M. Wright, Nikolai F. Zobov. Journal of Quantitative Spectroscopy and Radiative Transfer, 2024 (submitted)
65) [Title withheld] Quintessential Hot Jupiter HD 189733 b
Julie Inglis, Natasha E. Batalha, Nikole K Lewis, Tiffany Kataria, Heather A. Knutson, Brian M. Kilpatrick, Anna Gagnebin, Sagnick Mukherjee, Maria M. Pettyjohn, Ian J. M. Crossfield, Trevor O. Foote, David Grant, Gregory W. Henry, Maura Lally, Laura K. Mckemmish, David K. Sing, Hannah R. Wakeford, Juan C. Zapata Trujillo, Robert T, Zellem. Astrophysical Journal Letters (submitted)
64) Full spectroscopic model and trihybrid experimental-perturbative-variational line list for NH
Armando N Perri, Laura K. McKemmish*; Monthly Notices of the Royal Astronomical Society (accepted)
Charles A. Bowesman, Qianwei Qu , Laura K. McKemmish, Sergei N. Yurchenko and Jonathan Tennyson; Monthly Notices of the Royal Astronomical Society, 2024, 529, 1321-1332.
2023
Samuel J. Pitman, Alicia K. Evans, Robbie T. Ireland, Felix Lempriere, Laura K. McKemmish*; Journal of Physical Chemistry A (invited), 2023, 127, 10295-10306.
Robbie T Ireland, Laura K. McKemmish*; Journal of Chemical Physics (invited), 2023, 159, 064102.
Armando N Perri, Fadia Taher, Laura K. McKemmish*; Monthly Notices of the Royal Astronomical Society, 2023, 524.3, 4631-4641.
Juan C Zapata Trujillo, Maria M Pettyjohn, Laura K. McKemmish*; Monthly Notices of the Royal Astronomical Society, 2023, 524.1, 361-376.
Cox, Claudia; Slavich, Eve; Macreadie, Lauren; McKemmish, Laura*; Lessio, Martina*, Chemistry of Materials, 2023, 35, 8, 3057-3072.
Juan Zapata Trujillo, Laura K. McKemmish*. J. Physical Chemistry A, 2023, 127, 7, 1715–1735.
Xiangyue Liu, Laura K McKemmish, Jesús J. Pérez-Ríos. Physical Chemistry Chemical Physics
Reimers, Jeffrey R.*, and Laura K. McKemmish. Mixed‐Valence Systems: Fundamentals, Synthesis, Electron Transfer, and Applications (2023): 45-91.
2022
Juan Zapata Trujillo, Laura K. McKemmish*. J. Physical Chemistry A, 126, 4100-4122 (invited to virtual special issue “10 Years of the ACS PHYS Astrochemistry Subdivision”.).
Jeffrey Reimers, Laura K. McKemmish. Comprehensive Computational Chemistry (book), edited by S. Shaik and P. C. Hiberty, Elsevier.
2021
52) Photodissociation of dicarbon: How nature breaks an unusual multiple bond
Jasmin Borsovszky, Klaas Nauta, Jun Jiang, Christopher S. Hansen, Laura K. McKemmish, Robert W. Field, John F. Stanton, Scott H. Kable, and Timothy W. Schmidt. Proceedings of the National Academy of Sciences 118, no. 52 (2021).
Yurchenko, Sergei N., Jonathan Tennyson, Anna-Maree Syme,..., Juan Zapata Trujillo. Monthly Notices of the Royal Astronomical Society, 510(1), 903-919.
51) Meta-analysis of Uniform Scaling Factors for Harmonic Frequency Calculations. (arxiv pre-review version)
Juan Zapata Trujillo, Laura K. McKemmish*. WIRES Computational Molecular Science, e1584.
Claudia Cox, Laura K. McKemmish*. Australian Journal of Chemistry (invited to Rising Stars of Chemistry special issue), 75(2) 126-134
Anna-Maree Syme, Laura K. McKemmish*. Monthly Notices of the Royal Astronomical Society, 505(3), 4383-4395.
Juan Camilo Zapata, Anna-Maree Syme, Keiran Rowell, Brendan P.Burns, Ebubekir S. Clark, Maire N. Gorman, Lorrie S. D. Jacob, Panayioti Kapodistrias, Felix Lempriere, Chris Medcraft, Jensen O’Sullivan, Evan Robertson, Georgia Soares, Luke Steller, Bronwyn L. Teece, Chenoa D.Tremblay, Clara Sousa-Silva, and Laura K. McKemmish*. Frontiers in Astronomy and Space Sciences, 8, 43.
LK McKemmish*, Wiley Interdisciplinary Reviews Computational Molecular Science, e1520.
2020
A Syme, LK McKemmish*, Monthly Notices of the Royal Astronomical Society , 449(1), 25-39.
JC Zapata, LK McKemmish*, Journal of Physical Chemistry A, 124(37), 7538–7548.
(Non-peer-reviewed) A Syme, LK McKemmish*, Research Notes of the AAS, 4(8), 139.
Jonathan Tennyson, Sergei N. Yurchenko, Ahmed F. Al-Refaie, Victoria H. J. Clark, Katy L. Chubb, Eamon K. Conway, Akhil Dewan, Maire N. Gorman, Christian Hill, A. E. Lynas-Gray, Thomas Mellor, Laura K. McKemmish, Alec Owens, Oleg L. Polyansky, Mikhail Semenov, Wilfrid Somogyi, Giovanna Tinetti, Apoorva Upadhyay, Ingo Waldmann, Yixin Wang, Samuel Wright, Olga P. Yurchenko, Journal of Quantitative Spectroscoy and Radiative Transfer, 255, 107228.
Ya. V. Pavlenko, Sergei N. Yurchenko, Laura K. McKemmish, and Jonathan Tennyson, Astronomy and Astrophysics, 649, A77
LK McKemmish*, A Syme, J Borsovszky, SN Yurchenko, J Tennyson, T Furtenbacher, A Csaszar, Monthly Notices of the Royal Astronomical Society, 497(1), 1081-1097.
Anjali A. A. Piette, Nikku Madhusudhan, Laura K. McKemmish, Siddharth Gandhi, Thomas Masseron, Luis Welbanks, Monthly Notices of Royal Astronomical Society, 496(3), 3870-3886.
Stephanie R. Merritt, Neale P. Gibson, Stevanus K. Nugroho, Ernst J. W. de Mooij, Matthew J. Hooton, Shannon M. Matthews, Laura K. McKemmish, Thomas Mikal-Evans, Nikolay Nikolov, David K. Sing, Jessica J. Spake, Chris A. Watson, Astronomy and Astrophysics, 636, A117.
CS Cox, JC Zapata, LK McKemmish*, Australian Journal of Chemistry (invited to Special Issue for Women in Chemistry II), 73(10), 911-922.
A Syme, A Mousley, M Cunningham, LK McKemmish*, Australian Journal of Chemistry (invited to Special Issue for PhysChem conference 2019), 73(8) 743-756.
2019
LK McKemmish*, T Masseron, HJ Hoeijmaker, V Perez-Mesa, SL Grimm, SY Yurchenko, J Tennyson, Monthly Notices of the Royal Astronomical Society, 488, 2836-2854.
LK McKemmish*, J Tennyson, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 337, https://doi.org/10.1098/rsta.2018.0409
T Rivlin, LK McKemmish, KE Spinlove, J Tennyson, Molecular Physics, 117(21), 3158-3170.
II Mizus, OL Polyansky, LK McKemmish, J Tennyson, A Alijah, NF Zobov, Molecular Physics, 117, 1663
T Rivlin, LK McKemmish, J Tennyson, in Quantum Collisions and Confinement of Atomic and Molecular Species, and Photons. Springer Proceedings in Physics, vol 230, https://doi.org/10.1007/978-981-13-9969-5_25
A Karton, LK McKemmish, Australian Journal of Chemistry, 71, 804-810.
2018
LK McKemmish*, J Borsovszky, KL Goohew, S Sheppard, AFV Bennett, ADJ Martin, A Singh, CAJ Sturgeon, T Furtenbacher, AG Csaszar, J Tennyson, Astrophysical Journal, 867, 33
SN Yurchenko, W Bond, MN Gorman, L Lodi, LK McKemmish, W Nunn, R Shah, J Tennyson, Monthly Notices of the Royal Astronomical Society, 478(1), 270
LK McKemmish*, RL Coates, FS Botelho, A Kuhai, KVC Marshall, LZJ Turlej, Chapter within Shaping Higher Education with Students; Ways to Connect Research and Teaching, edited by VCH Tong, A Standen and M Sortiriou
Tsiaras, Waldmann, Zingales, Rocchetto, Morello, Damiano, Karpouzas, Tinetti, McKemmish, Tennyson, Yurchenko, The Astronomical Journal, 155(4)
Coates, Kuhai, Turlej, Rivlin, McKemmish*, European Journal of Physics, 39
2017
Laura K McKemmish*, Katy L Chubb, Tom Rivlin, Jack S Baker, Maire N Gorman, Anita Heward, William Dunn, Marcell Tessenyi and the whole Twinkle team, Astronomy & Geophysics, 58(5), 5
Sousa-Silva, McKemmish, Baker, Barton, Chubb, Gorman, Rivlin, Tennyson, Physics Education, 53(1)
Reimers, McKemmish, McKenzie, Hush, IOP Conf. Series: Journal of Physics: Conf. Series 883, 012014
McKemmish*, Coates, Botelho, Robertson, Leong, Journal of Educational Innovation, Partnership and Change, 3(2)
LK McKemmish*, Masseron, Sheppard, Sandeman, Schofield, Furtenbacher, Czaszar, Tennyson, Sousa-Silva., Astrop. J. Supp. , 228(2)
2016
Althorpe, Ananth, Angulo, Astumian, Beniwal, Blumberger, Bolhuis, Ensing, Glowacki, Habershon, Hammes-Schiffer, Hele, Makri, Manolopoulos, McKemmish, Miller, Miller, Mulholland, Nekipelova, Pollak, Richardson, Richter, Chowdhury, Shalashilin and Szabla, Faraday Discussion, 2016, 195, 311-344
Althorpe, Beniwal, Bolhuis, Brandao, Clary, Ellis, Fang, Glowacki, Hele, Jonsson, Kastner, Makri, Manolopoulos, McKemmish, Menzl, Miller, Miller, Pollak, Rampino, Richardson, Richter, Chowdhury, Shalashilin, Tennyson and Welsch, Faraday Discussion, 2016, 195, 139-169
LK McKemmish*, S Yurchenko, J Tennyson, Mol. Phys., 114, 3232
LK McKemmish*, S Yurchenko, J Tennyson, MNRAS, 463, 771
J Tennyson, LK McKemmish, T Rivlin, Faraday Discussions, 195, 31-48 DOI: 10.1039/C6FD00110F
J Tennyson, L Lodi, LK McKemmish, S Yurchenko, Journal of Physics B (invited review), 49, 102001
J Tennyson, SN Yurchenko, AF Al-Refaie, EJ Barton, KL Chubb, PA Coles, RS Diamantopoulou, MN Gorman, C Hill, AZ Lam, L Lodi, LK McKemmish, Y Na, A Owens, OL Polyansky, C Sousa-Silva, DS Underwood, A Yachmenev, E Zak, Journal of Molecular Spectroscopy, 327, 73-94
2015
LK McKemmish*, ATB Gilbert, Journal of Chemical Theory and Computation, 142 (13), 134104
LK McKemmish*, Journal of Chemical Physics, 142 (13), 134104
LK McKemmish, RH McKenzie, NS Hush, JR Reimers, Physical Chemistry Chemical Physics, 17 (38), 24666-24682
JR Reimers, LK McKemmish, RH McKenzie, NS Hush, Physical Chemistry Chemical Physics, 17 (38), 24641-24665
JR Reimers, LK McKemmish, RH McKenzie, NS Hush, Physical Chemistry Chemical Physics, 17 (38), 24618-24640
JR Reimers, LK McKemmish, RH McKenzie, NS Hush, Physical Chemistry Chemical Physics, 17 (38), 24598-24617
2014
LK McKemmish, ATB Gilbert, PMW Gill, Journal of Chemical Theory and Computation, 10, 4369-4376
JR Reimers, LK McKemmish, RH McKenzie, AE Mark, NS Hush, Physics of life reviews 11 (1), 101
2012
LK McKemmish, PMW Gill, Journal of Chemical Theory and Computation 8 (12), 4891-4898
LK McKemmish, DJ Kedziora, GR White, NS Hush, JR Reimers, Australian Journal of Chemistry 65 (5), 512-519
2011
LK McKemmish, RH McKenzie, NS Hush, JR Reimers, The Journal of chemical physics 135 (24), 244110
JW Hollett, LK McKemmish, PMW Gill, The Journal of chemical physics 134 (22), 224103
2009
LK McKemmish, JR Reimers, RH McKenzie, AE Mark, NS Hush, Physical Review E 80 (2), 021912
JR Reimers, LK McKemmish, RH McKenzie, AE Mark, NS Hush, Proceedings of the National Academy of Sciences 106 (11), 4219-4224