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Browsing by Author Kobayashi, Rika

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Showing results 1 to 16 of 16

Ab initioinvestigation of the structures and energies of spiropyran and merocyanine isomers

Author(s)Amos, Roger; Kobayashi, Rika
TypeJournal article
Date Published2015
Date Created-
01_Jacquemin_Assessment_of_the_efficiency_2007.pdf.jpg

Assessment of the efficiency of long-range corrected functionals for some properties of large compounds

Author(s)Jacquemin, Denis; Perpète, Eric A.; Scalmani, Giovanni, et al
TypeJournal article
Date Published26-Oct-2007
Date Created-

Assignment of the Q-Bands of the Chlorophylls: Coherence Loss via Q x - Q y Mixing

Author(s)Reimers, Jeffrey R; Cai, Zheng-Li; Kobayashi, Rika, et al
TypeJournal article
Date Published2013
Date Created-

Assignment of the Qy Absorption Spectrum of Photosystem-I from Thermosynechococcus elongatus Based on the CAM-B3LYP Calculations at the PW91-Optimized Protein Structure

Author(s)Yin, Shiwe; Dahlbom, Mats; Canfield, Peter, et al
TypeJournal article
Date Published2007
Date Created-

Comparing long-range corrected functionals in the cis-trans isomerisation of the retinal chromophore

Author(s)Rostov, Ivan; Kobayashi, Rika; Amos, Roger
TypeJournal article
Date Published2012
Date Created-

Density functional theory for charge transfer: The nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculations

Author(s)Cai, Zheng-Li; Crossley, Maxwell; Reimers, Jeffrey R, et al
TypeJournal article
Date Published2006
Date Created-
01_Jacquemin_First_hyperpolarizability_of_2007.pdf.jpg

First hyperpolarizability of polymethineimine with long-range corrected functionals

Author(s)Jacquemin, Denis; Perpète, Eric A.; Medved’, Miroslav, et al
TypeJournal article
Date Published2007
Date Created-

Formation of water-chlorophyll clusters in dilute samples of chlorophyll-a in ether at low temperature

Author(s)Reimers, Jeffrey R; Cai, Zheng-Li; Kobayashi, Rika, et al
TypeJournal article
Date Published2014
Date Created-
01 Kobayashi  and Reimers Free energies for 2015.pdf.jpg

Free energies for the coordination of ligands to the magnesium of chlorophyll-a in solvents

Author(s)Kobayashi, Rika; Reimers, Jeffrey R.
TypeJournal article
Date PublishedJan-2015
Date Created-

Studies of the ground and excited-state surfaces of the retinal chromophore using CAM-B3LYP

Author(s)Rostov, Ivan; Amos, Roger; Kobayashi, Rika, et al
TypeJournal article
Date Published2010
Date Created-

Systematic study of locally dense basis sets for NMR shielding constants

Author(s)Reid, David M; Kobayashi, Rika; Collins, Michael
TypeJournal article
Date Published2014
Date Created-

The application of CAM-B3LYP to the charge-transfer band problem of the zincbacteriochlorin-bacteriochlorin complex

Author(s)Kobayashi, Rika; Amos, Roger
TypeJournal article
Date Published2006
Date Created-

Theoretical investigation of the isomerisation of merocyanine

Author(s)Kobayashi, Rika; Amos, Roger
TypeJournal article
Date Published2013
Date Created-

Theoretical studies on the stability of molecular platinum catalysts for hydrogen production

Author(s)Lindsay E., Roy; Scalmani, Giovanni; Kobayashi, Rika, et al
TypeJournal article
Date Published2009
Date Created-
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