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Browsing by Author Amos, Roger

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Showing results 1 to 7 of 7

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

Author(s)Amos, Roger; Kobayashi, Rika
TypeJournal article
Date Published2015
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-

Dipole moments in excited state DFT calculations

Author(s)Amos, Roger
TypeJournal article
Date Published2002
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-

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-
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