Browsing byAuthorKobayashi, R

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Showing results 1 to 11 of 11
Issue DateTitleAuthor(s)
2021-05-19Accurate prediction of the properties of materials using the CAM‐B3LYP density functionalLi, M; Reimers, JR; Ford, MJ; Kobayashi, R; Amos, RD
2013-10-14Assignment of the Q-Bands of the Chlorophylls: Coherence Loss via Q x-Q y MixingReimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E
2019-09-28Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li<inf>2</inf><sup>+</sup>Yang, L; Reimers, JR; Kobayashi, R; Hush, NS
2020-09-24Convergence of Defect Energetics CalculationsReimers, JR; Sajid, A; Kobayashi, R; Ford, MJ
2022-12-31Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materialsLi, M; Kobayashi, R; Amos, RD; Ford, MJ; Reimers, JR
2022-11-03Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles.Fronzi, M; Amos, RD; Kobayashi, R; Matsumura, N; Watanabe, K; Morizawa, RK
2014-02-14Formation of water-chlorophyll clusters in dilute samples of chlorophyll-a in ether at low temperatureReimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E
2015-01-01Free energies for the coordination of ligands to the magnesium of chlorophyll-a in solventsKobayashi, R; Reimers, JR
2018-06-01A new fundamental type of conformational isomerismCanfield, PJ; Blake, IM; Cai, ZL; Luck, IJ; Krausz, E; Kobayashi, R; Reimers, JR; Crossley, MJ
2014-01-01The role of high-level calculations in the assignment of the Q-band spectra of chlorophyllReimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E
2018-03-13Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron NitrideReimers, JR; Sajid, A; Kobayashi, R; Ford, MJ