Browsing byAuthorMcKemmish, LK

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Issue DateTitleAuthor(s)
2021-04-08Computational Infrared Spectroscopy of 958 Phosphorus-Bearing MoleculesZapata Trujillo, JC; 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
2017-05-19Diabatic models with transferrable parameters for generalized chemical reactionsReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2015-07-03Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: The general importance of all three Born-Oppenheimer breakdown correctionsReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2015-07-03A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticityReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2015-07-03Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopyMcKemmish, LK; McKenzie, RH; Hush, NS; Reimers, JR
2015-07-02Bond angle variations in XH<inf>3</inf> [X = N, P, As, Sb, Bi]: The critical role of Rydberg orbitals exposed using a diabatic state modelReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2012-06-05Frequency-based quantum computers from a Chemist's perspectiveMcKemmish, LK; Kedziora, DJ; White, GR; Hush, NS; Reimers, JR
2011-12-28Quantum entanglement between electronic and vibrational degrees of freedom in moleculesMcKemmish, LK; McKenzie, RH; Hush, NS; Reimers, JR
2009-08-13Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not biologically feasibleMcKemmish, LK; Reimers, JR; McKenzie, RH; Mark, AE; Hush, NS
2009-03-17Weak, strong, and coherent regimes of Fröhlich condensation and their applications to terahertz medicine and quantum consciousnessReimers, JR; McKemmish, LK; McKenzie, RH; Mark, AE; Hush, NS