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Issue Date
Title
Author(s)
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
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
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
2020-09-24
Convergence of Defect Energetics Calculations
Reimers, JR
;
Sajid, A
;
Kobayashi, R
;
Ford, MJ
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
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
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
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
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
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
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Chemical Physics
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0912 Materials Engineering, 1007 ...
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Chlorophyll
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03 Chemical Sciences
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03 Chemical Sciences, 09 Engineer...
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0306 Physical Chemistry (incl. St...
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4016 Materials engineering
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4018 Nanotechnology
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