Issue Date | Title | Author(s) |
2021-05-19 | Accurate prediction of the properties of materials using the CAM‐B3LYP density functional | Li, M; Reimers, JR; Ford, MJ; Kobayashi, R; Amos, RD |
2013-10-14 | Assignment of the Q-Bands of the Chlorophylls: Coherence Loss via Q x-Q y Mixing | Reimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E |
2019-09-28 | Competition 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 |
2020-09-24 | Convergence of Defect Energetics Calculations | Reimers, JR; Sajid, A; Kobayashi, R; Ford, MJ |
2022-12-31 | Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materials | Li, M; Kobayashi, R; Amos, RD; Ford, MJ; Reimers, JR |
2022-11-03 | Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles. | Fronzi, M; Amos, RD; Kobayashi, R; Matsumura, N; Watanabe, K; Morizawa, RK |
2014-02-14 | Formation of water-chlorophyll clusters in dilute samples of chlorophyll-a in ether at low temperature | Reimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E |
2015-01-01 | Free energies for the coordination of ligands to the magnesium of chlorophyll-a in solvents | Kobayashi, R; Reimers, JR |
2018-06-01 | A new fundamental type of conformational isomerism | Canfield, PJ; Blake, IM; Cai, ZL; Luck, IJ; Krausz, E; Kobayashi, R; Reimers, JR; Crossley, MJ |
2014-01-01 | The role of high-level calculations in the assignment of the Q-band spectra of chlorophyll | Reimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E |
2018-03-13 | Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron Nitride | Reimers, JR; Sajid, A; Kobayashi, R; Ford, MJ |