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Timothy J. Hele - Publications

Affiliations: 
University College London, London, United Kingdom 
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11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 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, et al. Fundamentals: general discussion. Faraday Discussions. PMID 27942654 DOI: 10.1039/C6Fd90077A  0.631
2016 Althorpe S, Angulo G, Astumian RD, Beniwal V, Bolhuis PG, Brandão J, Ellis J, Fang W, Glowacki DR, Hammes-Schiffer S, Hele TJ, Jónsson H, Lelièvre T, Makri N, Manolopoulos D, et al. Application to large systems: general discussion. Faraday Discussions. PMID 27929584 DOI: 10.1039/C6Fd90076C  0.66
2016 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, et al. Non-adiabatic reactions: general discussion. Faraday Discussions. PMID 27929583 DOI: 10.1039/C6Fd90078J  0.591
2016 Hele TJ, Ananth N. Deriving the exact nonadiabatic quantum propagator in the mapping variable representation. Faraday Discussions. PMID 27752681 DOI: 10.1039/C6Fd00106H  0.655
2016 Hele TJ, Althorpe SC. An alternative derivation of ring-polymer molecular dynamics transition-state theory. The Journal of Chemical Physics. 144: 174107. PMID 27155625 DOI: 10.1063/1.4947589  0.575
2015 Hele TJ, Suleimanov YV. Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates? The Journal of Chemical Physics. 143: 074107. PMID 26298115 DOI: 10.1063/1.4928599  0.308
2015 Hele TJ, Willatt MJ, Muolo A, Althorpe SC. Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics. The Journal of Chemical Physics. 142: 191101. PMID 26001438 DOI: 10.1063/1.4921234  0.577
2015 Hele TJ, Willatt MJ, Muolo A, Althorpe SC. Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics". The Journal of Chemical Physics. 142: 134103. PMID 25854224 DOI: 10.1063/1.4916311  0.589
2013 Hele TJ, Althorpe SC. On the uniqueness of t → 0+ quantum transition-state theory. The Journal of Chemical Physics. 139: 084116. PMID 24006983 DOI: 10.1063/1.4819077  0.599
2013 Althorpe SC, Hele TJ. Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing. The Journal of Chemical Physics. 139: 084115. PMID 24006982 DOI: 10.1063/1.4819076  0.606
2013 Hele TJ, Althorpe SC. Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory. The Journal of Chemical Physics. 138: 084108. PMID 23464141 DOI: 10.1063/1.4792697  0.603
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