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Fundamentals: general discussion.
Althorpe SC, Beniwal V, Bolhuis PG, Brandão J, Clary DC, Ellis J, Fang W, Glowacki DR, Hele TJ, Jónsson H, Kästner J, Makri N, Manolopoulos DE, McKemmish LK, Menzl G, Miller TF III, Miller WH, Pollak E, Rampino S, Richardson JO, Richter M, Roy Chowdhury P, Shalashilin D, Tennyson J, Welsch R. Althorpe SC, et al. Among authors: mckemmish lk. Faraday Discuss. 2016 Dec 22;195:139-169. doi: 10.1039/c6fd90077a. Faraday Discuss. 2016. PMID: 27942654 No abstract available.
Non-adiabatic reactions: general discussion.
Althorpe SC, Ananth N, Angulo G, Astumian RD, Beniwal V, Blumberger J, Bolhuis PG, Ensing B, Glowacki DR, Habershon S, Hammes-Schiffer S, Hele TJ, Makri N, Manolopoulos DE, McKemmish LK, Miller TF III, Miller WH, Mulholland AJ, Nekipelova T, Pollak E, Richardson JO, Richter M, Roy Chowdhury P, Shalashilin D, Szabla R. Althorpe SC, et al. Among authors: mckemmish lk. Faraday Discuss. 2016 Dec 22;195:311-344. doi: 10.1039/c6fd90078j. Faraday Discuss. 2016. PMID: 27929583 No abstract available.
Low-temperature chemistry using the R-matrix method.
Tennyson J, McKemmish LK, Rivlin T. Tennyson J, et al. Among authors: mckemmish lk. Faraday Discuss. 2016 Dec 22;195:31-48. doi: 10.1039/c6fd00110f. Faraday Discuss. 2016. PMID: 27711838
Photodissociation of dicarbon: How nature breaks an unusual multiple bond.
Borsovszky J, Nauta K, Jiang J, Hansen CS, McKemmish LK, Field RW, Stanton JF, Kable SH, Schmidt TW. Borsovszky J, et al. Among authors: mckemmish lk. Proc Natl Acad Sci U S A. 2021 Dec 28;118(52):e2113315118. doi: 10.1073/pnas.2113315118. Proc Natl Acad Sci U S A. 2021. PMID: 34930845 Free PMC article.
Mixed Ramp-Gaussian Basis Sets.
McKemmish LK, Gilbert AT, Gill PM. McKemmish LK, et al. J Chem Theory Comput. 2014 Oct 14;10(10):4369-76. doi: 10.1021/ct500615m. J Chem Theory Comput. 2014. PMID: 26588134
25 results